1-(4-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-(4-chlorophenyl)-2-[(2-methoxy-5-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
1-(4-chlorophenyl)-2-[(2-methoxy-5-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V002-1243 |
| Compound Name: | 1-(4-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(cc1CN1CCCn2cccc2C1c1ccc(cc1)[Cl])[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9862 |
| logD: | 4.9851 |
| logSw: | -5.42 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.954 |
| InChI Key: | JTHNMDBSHFCXHF-JOCHJYFZSA-N |