4-methyl-N-[5-methyl-2-(2-oxo-3-{[4-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]-3-nitrobenzamide
Chemical Structure Depiction of
4-methyl-N-[5-methyl-2-(2-oxo-3-{[4-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]-3-nitrobenzamide
4-methyl-N-[5-methyl-2-(2-oxo-3-{[4-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | V020-2875 |
| Compound Name: | 4-methyl-N-[5-methyl-2-(2-oxo-3-{[4-(trifluoromethoxy)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]-3-nitrobenzamide |
| Molecular Weight: | 542.51 |
| Molecular Formula: | C27 H25 F3 N4 O5 |
| Smiles: | Cc1ccc(c(c1)NC(c1ccc(C)c(c1)[N+]([O-])=O)=O)N1CCCN(Cc2ccc(cc2)OC(F)(F)F)C1=O |
| Stereo: | ACHIRAL |
| logP: | 6.1788 |
| logD: | 6.1266 |
| logSw: | -5.3925 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.907 |
| InChI Key: | OCZAQNFKMSCOFO-UHFFFAOYSA-N |