N-(3-chloro-4-fluorophenyl)-2-(6,7-dimethyl-10-oxo-2,3,10,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-9(1H)-yl)acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-(6,7-dimethyl-10-oxo-2,3,10,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-9(1H)-yl)acetamide
N-(3-chloro-4-fluorophenyl)-2-(6,7-dimethyl-10-oxo-2,3,10,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-9(1H)-yl)acetamide
Compound characteristics
| Compound ID: | F403-0196 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-(6,7-dimethyl-10-oxo-2,3,10,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-9(1H)-yl)acetamide |
| Molecular Weight: | 413.88 |
| Molecular Formula: | C22 H21 Cl F N3 O2 |
| Smiles: | Cc1cc2c(cc1C)N(CC(Nc1ccc(c(c1)[Cl])F)=O)C(C1CCCC1=N2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5071 |
| logD: | 4.4914 |
| logSw: | -4.5795 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.513 |
| InChI Key: | RNBFRHXAPJJILY-HNNXBMFYSA-N |