ethyl (1-{[4-(4-fluorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}cyclohexyl)acetate
Chemical Structure Depiction of
ethyl (1-{[4-(4-fluorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}cyclohexyl)acetate
ethyl (1-{[4-(4-fluorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}cyclohexyl)acetate
Compound characteristics
| Compound ID: | G118-0330 |
| Compound Name: | ethyl (1-{[4-(4-fluorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}cyclohexyl)acetate |
| Molecular Weight: | 489.59 |
| Molecular Formula: | C29 H32 F N3 O3 |
| Smiles: | CCOC(CC1(CCCCC1)NC(N1Cc2ccccc2n2cccc2C1c1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0316 |
| logD: | 6.0316 |
| logSw: | -5.378 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.094 |
| InChI Key: | RXCJVLYLTMCQKE-HHHXNRCGSA-N |