N-(adamantan-1-yl)-4-(3,4-dimethoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-(adamantan-1-yl)-4-(3,4-dimethoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
N-(adamantan-1-yl)-4-(3,4-dimethoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-1522 |
| Compound Name: | N-(adamantan-1-yl)-4-(3,4-dimethoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 497.64 |
| Molecular Formula: | C31 H35 N3 O3 |
| Smiles: | COc1ccc(cc1OC)C1c2cccn2c2ccccc2CN1C(NC12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4291 |
| logD: | 6.4291 |
| logSw: | -5.7141 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.85 |
| InChI Key: | FXKDWRLBYQOCEQ-DKJFEPGLSA-N |