N-(4-bromo-3-methylphenyl)-2-(10-oxo-2,3,10,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-9(1H)-yl)acetamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-2-(10-oxo-2,3,10,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-9(1H)-yl)acetamide
N-(4-bromo-3-methylphenyl)-2-(10-oxo-2,3,10,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-9(1H)-yl)acetamide
Compound characteristics
| Compound ID: | F403-0089 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-2-(10-oxo-2,3,10,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-9(1H)-yl)acetamide |
| Molecular Weight: | 426.31 |
| Molecular Formula: | C21 H20 Br N3 O2 |
| Smiles: | Cc1cc(ccc1[Br])NC(CN1C(C2CCCC2=Nc2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0141 |
| logD: | 4.0139 |
| logSw: | -4.197 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.513 |
| InChI Key: | WXTXOLJMMWABBT-HNNXBMFYSA-N |