N-(2-phenylethyl)-4-[4-(propan-2-yl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-(2-phenylethyl)-4-[4-(propan-2-yl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
N-(2-phenylethyl)-4-[4-(propan-2-yl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-0629 |
| Compound Name: | N-(2-phenylethyl)-4-[4-(propan-2-yl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 449.6 |
| Molecular Formula: | C30 H31 N3 O |
| Smiles: | CC(C)c1ccc(cc1)C1c2cccn2c2ccccc2CN1C(NCCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.2777 |
| logD: | 7.2777 |
| logSw: | -5.6841 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.7347 |
| InChI Key: | VSUPAUWOUJYNPO-GDLZYMKVSA-N |