4-methyl-3-nitro-N-[3-(2-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]benzamide
Chemical Structure Depiction of
4-methyl-3-nitro-N-[3-(2-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]benzamide
4-methyl-3-nitro-N-[3-(2-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]benzamide
Compound characteristics
| Compound ID: | V014-3512 |
| Compound Name: | 4-methyl-3-nitro-N-[3-(2-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]benzamide |
| Molecular Weight: | 512.49 |
| Molecular Formula: | C26 H23 F3 N4 O4 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(Nc1cccc(c1)N1CCCN(Cc2cccc(c2)C(F)(F)F)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5639 |
| logD: | 5.5554 |
| logSw: | -5.5054 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.969 |
| InChI Key: | PKYGAAZFLQLMGC-UHFFFAOYSA-N |