1-(3-nitrophenyl)-2-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
1-(3-nitrophenyl)-2-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
1-(3-nitrophenyl)-2-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V008-2407 |
| Compound Name: | 1-(3-nitrophenyl)-2-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine |
| Molecular Weight: | 348.4 |
| Molecular Formula: | C20 H20 N4 O2 |
| Smiles: | C1CN(Cc2cccnc2)C(c2cccc(c2)[N+]([O-])=O)c2cccn2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0711 |
| logD: | 3.0703 |
| logSw: | -2.8918 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.841 |
| InChI Key: | FZQOULUSLRWQCR-HXUWFJFHSA-N |