1-(2-chloro-5-nitrophenyl)-2-[(2,6-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
1-(2-chloro-5-nitrophenyl)-2-[(2,6-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
1-(2-chloro-5-nitrophenyl)-2-[(2,6-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V023-2295 |
| Compound Name: | 1-(2-chloro-5-nitrophenyl)-2-[(2,6-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine |
| Molecular Weight: | 417.84 |
| Molecular Formula: | C21 H18 Cl F2 N3 O2 |
| Salt: | not_available |
| Smiles: | C1CN(Cc2c(cccc2F)F)C(c2cc(ccc2[Cl])[N+]([O-])=O)c2cccn2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2726 |
| logD: | 5.2724 |
| logSw: | -6.0507 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.323 |
| InChI Key: | VYRGOMLSVLQTIP-OAQYLSRUSA-N |