4-[7-chloro-5-(4-fluorophenyl)-2-oxo-1,2,3,5-tetrahydro-4H-1,4-benzodiazepine-4-carbonyl]-N,N-diethylbenzene-1-sulfonamide
Chemical Structure Depiction of
4-[7-chloro-5-(4-fluorophenyl)-2-oxo-1,2,3,5-tetrahydro-4H-1,4-benzodiazepine-4-carbonyl]-N,N-diethylbenzene-1-sulfonamide
4-[7-chloro-5-(4-fluorophenyl)-2-oxo-1,2,3,5-tetrahydro-4H-1,4-benzodiazepine-4-carbonyl]-N,N-diethylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | C076-0359 |
| Compound Name: | 4-[7-chloro-5-(4-fluorophenyl)-2-oxo-1,2,3,5-tetrahydro-4H-1,4-benzodiazepine-4-carbonyl]-N,N-diethylbenzene-1-sulfonamide |
| Molecular Weight: | 530.02 |
| Molecular Formula: | C26 H25 Cl F N3 O4 S |
| Smiles: | CCN(CC)S(c1ccc(cc1)C(N1CC(Nc2ccc(cc2C1c1ccc(cc1)F)[Cl])=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4888 |
| logD: | 4.4887 |
| logSw: | -4.7753 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.122 |
| InChI Key: | IWLGYXHVEABWFB-VWLOTQADSA-N |