AE36094
1360614-48-7 | Necrosulfonamide
Manufacturer: A2B Chem
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CatalogNumber
AE36094
ChemicalName
Necrosulfonamide
CasNumber
1360614-48-7
MolecularFormula
C18H15N5O6S2
MolecularWeight
461.4716
MdlNumber
MFCD02370191
Smiles
COc1nccnc1NS(=O)(=O)c1ccc(cc1)NC(=O)/C=C/c1ccc(s1)[N+](=O)[O-]
Complexity
760
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
31
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
2
RotatableBondCount
7
Xlogp3
2.5
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CatalogNumber: AE36094
ChemicalName: Necrosulfonamide
CasNumber: 1360614-48-7
MolecularFormula: C18H15N5O6S2
MolecularWeight: 461.4716
MdlNumber: MFCD02370191
Smiles: COc1nccnc1NS(=O)(=O)c1ccc(cc1)NC(=O)/C=C/c1ccc(s1)[N+](=O)[O-]
Complexity: 760
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 31
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: 2.5
CatalogNumber:
AE36094
ChemicalName:
Necrosulfonamide
CasNumber:
1360614-48-7
MolecularFormula:
C18H15N5O6S2
MolecularWeight:
461.4716
MdlNumber:
MFCD02370191
Smiles:
COc1nccnc1NS(=O)(=O)c1ccc(cc1)NC(=O)/C=C/c1ccc(s1)[N+](=O)[O-]
Complexity:
760
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
31
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1nc[nH]c1)CCCNC(=N)N)CCCNC(=N)N)CC(C)C)C(C)C)NC(=O)C1CSSCC(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C2CCCN2C(=O)C(CO)N)CCCCN)CCSC)CCC(=O)N)CO)C(=O)NC(Cc2ccccc2)C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)N1)CC(C)C)CO)CO)CO)CO)C(CC)C)CCCNC(=N)N
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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Smiles:
NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1nc[nH]c1)CCCNC(=N)N)CCCNC(=N)N)CC(C)C)C(C)C)NC(=O)C1CSSCC(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C2CCCN2C(=O)C(CO)N)CCCCN)CCSC)CCC(=O)N)CO)C(=O)NC(Cc2ccccc2)C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)N1)CC(C)C)CO)CO)CO)CO)C(CC)C)CCCNC(=N)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: O=C(Nc1nnc(o1)c1ccco1)NCc1ccccn1
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(Nc1nnc(o1)c1ccco1)NCc1ccccn1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc(cc1)[C@@H](Nc1nc(Nc2cnccn2)cc(c1)c1cnn(c1)C)C.OC(=O)/C=C\C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Fc1ccc(cc1)[C@@H](Nc1nc(Nc2cnccn2)cc(c1)c1cnn(c1)C)C.OC(=O)/C=C\C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__