N-(2-{3-[(3,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-(2-{3-[(3,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methyl-3-nitrobenzamide
N-(2-{3-[(3,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | V012-7752 |
| Compound Name: | N-(2-{3-[(3,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 480.47 |
| Molecular Formula: | C25 H22 F2 N4 O4 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(Nc1ccccc1N1CCCN(Cc2ccc(c(c2)F)F)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8768 |
| logD: | 4.7999 |
| logSw: | -4.6262 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.97 |
| InChI Key: | HTUGURIMRKKXRX-UHFFFAOYSA-N |