dimethyl 2-[(4-ethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl)amino]benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[(4-ethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl)amino]benzene-1,4-dicarboxylate
dimethyl 2-[(4-ethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl)amino]benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | G118-0766 |
| Compound Name: | dimethyl 2-[(4-ethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl)amino]benzene-1,4-dicarboxylate |
| Molecular Weight: | 447.49 |
| Molecular Formula: | C25 H25 N3 O5 |
| Smiles: | CCC1c2cccn2c2ccccc2CN1C(Nc1cc(ccc1C(=O)OC)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1225 |
| logD: | 5.1217 |
| logSw: | -4.9628 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.445 |
| InChI Key: | QPWHQAPWYVFDSV-FQEVSTJZSA-N |