4-nitro-N-[4-(2-oxo-3-{[4-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]benzamide
Chemical Structure Depiction of
4-nitro-N-[4-(2-oxo-3-{[4-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]benzamide
4-nitro-N-[4-(2-oxo-3-{[4-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]benzamide
Compound characteristics
| Compound ID: | V029-0425 |
| Compound Name: | 4-nitro-N-[4-(2-oxo-3-{[4-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]benzamide |
| Molecular Weight: | 498.46 |
| Molecular Formula: | C25 H21 F3 N4 O4 |
| Salt: | not_available |
| Smiles: | C1CN(Cc2ccc(cc2)C(F)(F)F)C(N(C1)c1ccc(cc1)NC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0464 |
| logD: | 5.0463 |
| logSw: | -4.917 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.27 |
| InChI Key: | FCHBIJZDXYTNGC-UHFFFAOYSA-N |