AF32655
219766-25-3 | ANA-12
Manufacturer: A2B Chem
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CatalogNumber
AF32655
ChemicalName
ANA-12
CasNumber
219766-25-3
MolecularFormula
C22H21N3O3S
MolecularWeight
407.4854
MdlNumber
MFCD00117444
Smiles
O=C1NCCCCC1NC(=O)c1ccccc1NC(=O)c1cc2c(s1)cccc2
Complexity
628
Covalently-bondedUnitCount
1
HeavyAtomCount
29
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
4.2
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CatalogNumber: AF32655
ChemicalName: ANA-12
CasNumber: 219766-25-3
MolecularFormula: C22H21N3O3S
MolecularWeight: 407.4854
MdlNumber: MFCD00117444
Smiles: O=C1NCCCCC1NC(=O)c1ccccc1NC(=O)c1cc2c(s1)cccc2
Complexity: 628
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 4.2
CatalogNumber:
AF32655
ChemicalName:
ANA-12
CasNumber:
219766-25-3
MolecularFormula:
C22H21N3O3S
MolecularWeight:
407.4854
MdlNumber:
MFCD00117444
Smiles:
O=C1NCCCCC1NC(=O)c1ccccc1NC(=O)c1cc2c(s1)cccc2
Complexity:
628
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
4.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC[C@@H](OC(=O)N[C@H](c1cccc(c1)NC(=O)Nc1ccc(c(c1)OC)c1cnco1)C)CC#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC[C@@H](OC(=O)N[C@H](c1cccc(c1)NC(=O)Nc1ccc(c(c1)OC)c1cnco1)C)CC#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=CCc1cc(C(=O)/C=C/c2ccc(cc2)O)c(cc1O)O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=CCc1cc(C(=O)/C=C/c2ccc(cc2)O)c(cc1O)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1N[C@H]([C@@H]([C@@H]1O)O)c1c[nH]c2c1ncnc2N.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1N[C@H]([C@@H]([C@@H]1O)O)c1c[nH]c2c1ncnc2N.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__