N-(4-bromo-2-fluorophenyl)-2-(7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)acetamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-2-(7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)acetamide
N-(4-bromo-2-fluorophenyl)-2-(7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)acetamide
Compound characteristics
| Compound ID: | C386-0522 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-2-(7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)acetamide |
| Molecular Weight: | 500.75 |
| Molecular Formula: | C23 H16 Br Cl F N3 O2 |
| Smiles: | C1C(N(CC(Nc2ccc(cc2F)[Br])=O)c2ccc(cc2C(c2ccccc2)=N1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5605 |
| logD: | 4.5476 |
| logSw: | -4.6438 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.393 |
| InChI Key: | KMRCOTHFJFMXFI-UHFFFAOYSA-N |