2-[(3,5-dimethylphenyl)methyl]-1-(2-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
2-[(3,5-dimethylphenyl)methyl]-1-(2-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
2-[(3,5-dimethylphenyl)methyl]-1-(2-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V022-4381 |
| Compound Name: | 2-[(3,5-dimethylphenyl)methyl]-1-(2-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine |
| Molecular Weight: | 375.47 |
| Molecular Formula: | C23 H25 N3 O2 |
| Smiles: | Cc1cc(C)cc(CN2CCCn3cccc3C2c2ccccc2[N+]([O-])=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6096 |
| logD: | 5.5796 |
| logSw: | -5.437 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.022 |
| InChI Key: | YPPQGMRCNCLFLA-HSZRJFAPSA-N |