ethyl 4-[(4-methyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(4-methyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl)amino]benzoate
ethyl 4-[(4-methyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | G118-0861 |
| Compound Name: | ethyl 4-[(4-methyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl)amino]benzoate |
| Molecular Weight: | 389.45 |
| Molecular Formula: | C23 H23 N3 O3 |
| Smiles: | CCOC(c1ccc(cc1)NC(N1Cc2ccccc2n2cccc2C1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8782 |
| logD: | 4.8782 |
| logSw: | -4.397 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.187 |
| InChI Key: | DHMJUDZEJGJCDN-INIZCTEOSA-N |