2-[(2,3-dimethylphenyl)methyl]-1-(3-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
2-[(2,3-dimethylphenyl)methyl]-1-(3-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
2-[(2,3-dimethylphenyl)methyl]-1-(3-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V004-6459 |
| Compound Name: | 2-[(2,3-dimethylphenyl)methyl]-1-(3-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: | Cc1cccc(CN2CCCn3cccc3C2c2cccc(c2)[N+]([O-])=O)c1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4894 |
| logD: | 5.4848 |
| logSw: | -5.4698 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.323 |
| InChI Key: | BDYLNLLEYBYUSE-HSZRJFAPSA-N |