ethyl 4-{[(4-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl)amino]methyl}cyclohexane-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[(4-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl)amino]methyl}cyclohexane-1-carboxylate
ethyl 4-{[(4-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl)amino]methyl}cyclohexane-1-carboxylate
Compound characteristics
| Compound ID: | G118-0987 |
| Compound Name: | ethyl 4-{[(4-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl)amino]methyl}cyclohexane-1-carboxylate |
| Molecular Weight: | 471.6 |
| Molecular Formula: | C29 H33 N3 O3 |
| Smiles: | CCOC(C1CCC(CC1)CNC(N1Cc2ccccc2n2cccc2C1c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3257 |
| logD: | 6.3257 |
| logSw: | -5.6058 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.839 |
| InChI Key: | UBOLDIYVGGRJGJ-AISLOGHRSA-N |