4-hydroxy-6-(3-nitrophenyl)-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Chemical Structure Depiction of
4-hydroxy-6-(3-nitrophenyl)-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
4-hydroxy-6-(3-nitrophenyl)-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Compound characteristics
| Compound ID: | 4593-7536 |
| Compound Name: | 4-hydroxy-6-(3-nitrophenyl)-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one |
| Molecular Weight: | 410.31 |
| Molecular Formula: | C17 H13 F3 N4 O5 |
| Smiles: | c1cc(cc(c1)[N+]([O-])=O)C1C(C(c2cccnc2)=O)C(C(F)(F)F)(NC(N1)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4627 |
| logD: | 1.4625 |
| logSw: | -1.6151 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 109.521 |
| InChI Key: | DITNEJNVBANGNY-UHFFFAOYSA-N |