1-(2-chlorophenyl)-2-[(2-methoxy-5-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
1-(2-chlorophenyl)-2-[(2-methoxy-5-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
1-(2-chlorophenyl)-2-[(2-methoxy-5-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V002-0529 |
| Compound Name: | 1-(2-chlorophenyl)-2-[(2-methoxy-5-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine |
| Molecular Weight: | 411.89 |
| Molecular Formula: | C22 H22 Cl N3 O3 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1CN1CCCn2cccc2C1c1ccccc1[Cl])[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9687 |
| logD: | 4.9676 |
| logSw: | -5.1902 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.954 |
| InChI Key: | HUVNSOLQSQWXQK-JOCHJYFZSA-N |