1-(2,4-difluorophenyl)-2-[(3-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
1-(2,4-difluorophenyl)-2-[(3-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
1-(2,4-difluorophenyl)-2-[(3-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V023-4404 |
| Compound Name: | 1-(2,4-difluorophenyl)-2-[(3-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine |
| Molecular Weight: | 383.4 |
| Molecular Formula: | C21 H19 F2 N3 O2 |
| Salt: | not_available |
| Smiles: | C1CN(Cc2cccc(c2)[N+]([O-])=O)C(c2ccc(cc2F)F)c2cccn2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7081 |
| logD: | 4.7075 |
| logSw: | -4.7555 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.323 |
| InChI Key: | KUNANQMXVCRIBA-OAQYLSRUSA-N |