AB52643
917879-39-1 | MK-2461
Manufacturer: A2B Chem
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CatalogNumber
AB52643
ChemicalName
MK-2461
CasNumber
917879-39-1
MolecularFormula
C24H25N5O5S
MolecularWeight
495.5508
MdlNumber
MFCD11977739
Smiles
Cn1ncc(c1)c1cnc2c(c1)c(=O)c1cc(ccc1cc2)NS(=O)(=O)N(C[C@@H]1COCCO1)C
Complexity
895
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
35
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
1.2
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CatalogNumber: AB52643
ChemicalName: MK-2461
CasNumber: 917879-39-1
MolecularFormula: C24H25N5O5S
MolecularWeight: 495.5508
MdlNumber: MFCD11977739
Smiles: Cn1ncc(c1)c1cnc2c(c1)c(=O)c1cc(ccc1cc2)NS(=O)(=O)N(C[C@@H]1COCCO1)C
Complexity: 895
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 35
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 1.2
CatalogNumber:
AB52643
ChemicalName:
MK-2461
CasNumber:
917879-39-1
MolecularFormula:
C24H25N5O5S
MolecularWeight:
495.5508
MdlNumber:
MFCD11977739
Smiles:
Cn1ncc(c1)c1cnc2c(c1)c(=O)c1cc(ccc1cc2)NS(=O)(=O)N(C[C@@H]1COCCO1)C
Complexity:
895
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
35
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccc(c(c1)[N+](=O)[O-])F)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccc(c(c1)[N+](=O)[O-])F)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB52645
ChemicalName: 2-(Diethoxymethyl)furan
CasNumber: 13529-27-6
MolecularFormula: C9H14O3
MolecularWeight: 170.2057
MdlNumber: MFCD00003245
Smiles: CCOC(c1ccco1)OCC
Complexity: 110
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: 1.4
CatalogNumber:
AB52645
ChemicalName:
2-(Diethoxymethyl)furan
CasNumber:
13529-27-6
MolecularFormula:
C9H14O3
MolecularWeight:
170.2057
MdlNumber:
MFCD00003245
Smiles:
CCOC(c1ccco1)OCC
Complexity:
110
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CO[C@H]1OCCN2[C@@H]1O[C@H]1[C@@H]2C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CO[C@H]1OCCN2[C@@H]1O[C@H]1[C@@H]2C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__