N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(10-oxo-2,3,10,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-9(1H)-yl)acetamide
Chemical Structure Depiction of
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(10-oxo-2,3,10,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-9(1H)-yl)acetamide
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(10-oxo-2,3,10,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-9(1H)-yl)acetamide
Compound characteristics
| Compound ID: | F403-0140 |
| Compound Name: | N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(10-oxo-2,3,10,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-9(1H)-yl)acetamide |
| Molecular Weight: | 435.83 |
| Molecular Formula: | C21 H17 Cl F3 N3 O2 |
| Smiles: | C1CC2C(C1)=Nc1ccccc1N(CC(Nc1ccc(cc1C(F)(F)F)[Cl])=O)C2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1442 |
| logD: | 4.1439 |
| logSw: | -4.5334 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.815 |
| InChI Key: | IWBXFQISBRJAGL-ZDUSSCGKSA-N |