4-methyl-N-[5-methyl-2-(2-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]-3-nitrobenzamide
Chemical Structure Depiction of
4-methyl-N-[5-methyl-2-(2-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]-3-nitrobenzamide
4-methyl-N-[5-methyl-2-(2-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | V019-3980 |
| Compound Name: | 4-methyl-N-[5-methyl-2-(2-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]-3-nitrobenzamide |
| Molecular Weight: | 526.51 |
| Molecular Formula: | C27 H25 F3 N4 O4 |
| Smiles: | Cc1ccc(c(c1)NC(c1ccc(C)c(c1)[N+]([O-])=O)=O)N1CCCN(Cc2cccc(c2)C(F)(F)F)C1=O |
| Stereo: | ACHIRAL |
| logP: | 5.7443 |
| logD: | 5.6922 |
| logSw: | -5.4721 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.97 |
| InChI Key: | NJSDEBVLUIIETG-UHFFFAOYSA-N |