2-[(2,6-difluorophenyl)methyl]-1-(2-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
2-[(2,6-difluorophenyl)methyl]-1-(2-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
2-[(2,6-difluorophenyl)methyl]-1-(2-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V028-5775 |
| Compound Name: | 2-[(2,6-difluorophenyl)methyl]-1-(2-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine |
| Molecular Weight: | 383.4 |
| Molecular Formula: | C21 H19 F2 N3 O2 |
| Smiles: | C1CN(Cc2c(cccc2F)F)C(c2ccccc2[N+]([O-])=O)c2cccn2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4544 |
| logD: | 4.4532 |
| logSw: | -4.463 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.022 |
| InChI Key: | KIIKKGCVQQVCEL-OAQYLSRUSA-N |