1-(3,4-dimethylphenyl)-2-[(2-methoxy-5-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
1-(3,4-dimethylphenyl)-2-[(2-methoxy-5-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
1-(3,4-dimethylphenyl)-2-[(2-methoxy-5-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V002-0549 |
| Compound Name: | 1-(3,4-dimethylphenyl)-2-[(2-methoxy-5-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine |
| Molecular Weight: | 405.5 |
| Molecular Formula: | C24 H27 N3 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1C)C1c2cccn2CCCN1Cc1cc(ccc1OC)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.458 |
| logD: | 5.431 |
| logSw: | -5.4823 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.954 |
| InChI Key: | QTQIVJOJPDKGMU-XMMPIXPASA-N |