ethyl (4-{[4-(propan-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}phenyl)acetate
Chemical Structure Depiction of
ethyl (4-{[4-(propan-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}phenyl)acetate
ethyl (4-{[4-(propan-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}phenyl)acetate
Compound characteristics
| Compound ID: | G118-0689 |
| Compound Name: | ethyl (4-{[4-(propan-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}phenyl)acetate |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C26 H29 N3 O3 |
| Smiles: | CCOC(Cc1ccc(cc1)NC(N1Cc2ccccc2n2cccc2C1C(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2944 |
| logD: | 5.2944 |
| logSw: | -5.1608 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.001 |
| InChI Key: | QRUGFMZGXXIZGJ-VWLOTQADSA-N |