4-[7-bromo-5-(4-fluorophenyl)-2-oxo-1,2,3,5-tetrahydro-4H-1,4-benzodiazepine-4-carbonyl]-N,N-dimethylbenzene-1-sulfonamide
Chemical Structure Depiction of
4-[7-bromo-5-(4-fluorophenyl)-2-oxo-1,2,3,5-tetrahydro-4H-1,4-benzodiazepine-4-carbonyl]-N,N-dimethylbenzene-1-sulfonamide
4-[7-bromo-5-(4-fluorophenyl)-2-oxo-1,2,3,5-tetrahydro-4H-1,4-benzodiazepine-4-carbonyl]-N,N-dimethylbenzene-1-sulfonamide
Compound characteristics
Compound ID: | C076-0239 |
Compound Name: | 4-[7-bromo-5-(4-fluorophenyl)-2-oxo-1,2,3,5-tetrahydro-4H-1,4-benzodiazepine-4-carbonyl]-N,N-dimethylbenzene-1-sulfonamide |
Molecular Weight: | 546.41 |
Molecular Formula: | C24 H21 Br F N3 O4 S |
Smiles: | CN(C)S(c1ccc(cc1)C(N1CC(Nc2ccc(cc2C1c1ccc(cc1)F)[Br])=O)=O)(=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.0297 |
logD: | 4.0297 |
logSw: | -4.1387 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 74.69 |
InChI Key: | TWSPVNUEYCRERL-QHCPKHFHSA-N |