AA36715
1262985-23-8 | N-(3-(5-(4-Chlorophenyl)-1-(2,6-dichlorobenzoyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide
Manufacturer: A2B Chem
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CatalogNumber
AA36715
ChemicalName
N-(3-(5-(4-Chlorophenyl)-1-(2,6-dichlorobenzoyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide
CasNumber
1262985-23-8
MolecularFormula
C30H20Cl3F2N3O4S
MolecularWeight
662.9183
MdlNumber
MFCD22573287
Smiles
CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1cn(c2c1cc(cn2)c1ccc(cc1)Cl)C(=O)c1c(Cl)cccc1Cl)F
Complexity
1100
Covalently-bondedUnitCount
1
HeavyAtomCount
43
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
1
RotatableBondCount
8
Xlogp3
7.7
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CatalogNumber: AA36715
ChemicalName: N-(3-(5-(4-Chlorophenyl)-1-(2,6-dichlorobenzoyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide
CasNumber: 1262985-23-8
MolecularFormula: C30H20Cl3F2N3O4S
MolecularWeight: 662.9183
MdlNumber: MFCD22573287
Smiles: CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1cn(c2c1cc(cn2)c1ccc(cc1)Cl)C(=O)c1c(Cl)cccc1Cl)F
Complexity: 1100
Covalently-bondedUnitCount: 1
HeavyAtomCount: 43
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 8
Xlogp3: 7.7
CatalogNumber:
AA36715
ChemicalName:
N-(3-(5-(4-Chlorophenyl)-1-(2,6-dichlorobenzoyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide
CasNumber:
1262985-23-8
MolecularFormula:
C30H20Cl3F2N3O4S
MolecularWeight:
662.9183
MdlNumber:
MFCD22573287
Smiles:
CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1cn(c2c1cc(cn2)c1ccc(cc1)Cl)C(=O)c1c(Cl)cccc1Cl)F
Complexity:
1100
Covalently-bondedUnitCount:
1
HeavyAtomCount:
43
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
8
Xlogp3:
7.7
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MolecularFormula: __
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Smiles: COC(=O)C[C@H]1CNCCN1C(=O)OC(C)(C)C
Complexity: __
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Smiles:
COC(=O)C[C@H]1CNCCN1C(=O)OC(C)(C)C
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Smiles: Fc1ccc(cc1)CNc1ncnc2c1cc(F)cc2
Complexity: 308
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.6
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MolecularFormula:
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Smiles:
Fc1ccc(cc1)CNc1ncnc2c1cc(F)cc2
Complexity:
308
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.6
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Smiles: C=CCCCCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: __
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HeavyAtomCount: __
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
C=CCCCCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__