4-(3,4-dimethoxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
4-(3,4-dimethoxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
4-(3,4-dimethoxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-1514 |
| Compound Name: | 4-(3,4-dimethoxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 493.61 |
| Molecular Formula: | C31 H31 N3 O3 |
| Smiles: | COc1ccc(cc1OC)C1c2cccn2c2ccccc2CN1C(Nc1cccc2CCCCc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8551 |
| logD: | 6.8551 |
| logSw: | -5.5998 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.055 |
| InChI Key: | OTECXBNPZUVTFW-SSEXGKCCSA-N |