1-(3,4-dimethylphenyl)-2-[(4-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
1-(3,4-dimethylphenyl)-2-[(4-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
1-(3,4-dimethylphenyl)-2-[(4-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V005-7539 |
| Compound Name: | 1-(3,4-dimethylphenyl)-2-[(4-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine |
| Molecular Weight: | 375.47 |
| Molecular Formula: | C23 H25 N3 O2 |
| Smiles: | Cc1ccc(cc1C)C1c2cccn2CCCN1Cc1ccc(cc1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5041 |
| logD: | 5.3851 |
| logSw: | -5.4279 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.323 |
| InChI Key: | YTRXBJVXUOMXSF-HSZRJFAPSA-N |