ethyl 3-({4-[4-(propan-2-yl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl}amino)benzoate
Chemical Structure Depiction of
ethyl 3-({4-[4-(propan-2-yl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl}amino)benzoate
ethyl 3-({4-[4-(propan-2-yl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | G118-0600 |
| Compound Name: | ethyl 3-({4-[4-(propan-2-yl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl}amino)benzoate |
| Molecular Weight: | 493.61 |
| Molecular Formula: | C31 H31 N3 O3 |
| Smiles: | CCOC(c1cccc(c1)NC(N1Cc2ccccc2n2cccc2C1c1ccc(cc1)C(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.8806 |
| logD: | 7.8806 |
| logSw: | -5.6332 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.325 |
| InChI Key: | XHXYLSMEZSBJKI-GDLZYMKVSA-N |