4-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
4-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
4-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-0488 |
| Compound Name: | 4-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C28 H26 F N3 O2 |
| Smiles: | CCOc1ccc(cc1)C1c2cccn2c2ccccc2CN1C(NCc1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.921 |
| logD: | 5.921 |
| logSw: | -5.5467 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.017 |
| InChI Key: | UTCCHONHHPWCSL-HHHXNRCGSA-N |