methyl 2-{[4-(2-chlorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[4-(2-chlorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate
methyl 2-{[4-(2-chlorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G118-1978 |
| Compound Name: | methyl 2-{[4-(2-chlorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate |
| Molecular Weight: | 471.94 |
| Molecular Formula: | C27 H22 Cl N3 O3 |
| Smiles: | COC(c1ccccc1NC(N1Cc2ccccc2n2cccc2C1c1ccccc1[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4583 |
| logD: | 6.4582 |
| logSw: | -6.078 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.047 |
| InChI Key: | JRIGDSWUUVSHRH-RUZDIDTESA-N |