N-(2-chloro-5-{3-[(3,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-(2-chloro-5-{3-[(3,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methyl-3-nitrobenzamide
N-(2-chloro-5-{3-[(3,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | V021-2144 |
| Compound Name: | N-(2-chloro-5-{3-[(3,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 514.92 |
| Molecular Formula: | C25 H21 Cl F2 N4 O4 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(Nc1cc(ccc1[Cl])N1CCCN(Cc2ccc(c(c2)F)F)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3593 |
| logD: | 4.9571 |
| logSw: | -5.9272 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.271 |
| InChI Key: | TUOOQDBJXVKQCQ-UHFFFAOYSA-N |