ethyl 4-({[4-(4-fluorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}methyl)cyclohexane-1-carboxylate
Chemical Structure Depiction of
ethyl 4-({[4-(4-fluorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}methyl)cyclohexane-1-carboxylate
ethyl 4-({[4-(4-fluorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}methyl)cyclohexane-1-carboxylate
Compound characteristics
| Compound ID: | G118-0323 |
| Compound Name: | ethyl 4-({[4-(4-fluorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}methyl)cyclohexane-1-carboxylate |
| Molecular Weight: | 489.59 |
| Molecular Formula: | C29 H32 F N3 O3 |
| Smiles: | CCOC(C1CCC(CC1)CNC(N1Cc2ccccc2n2cccc2C1c1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3504 |
| logD: | 6.3504 |
| logSw: | -5.6487 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.839 |
| InChI Key: | DMSUWVIUSINEAL-YJDKGBRESA-N |