4-hydroxy-6-(4-nitrophenyl)-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Chemical Structure Depiction of
4-hydroxy-6-(4-nitrophenyl)-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
4-hydroxy-6-(4-nitrophenyl)-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Compound characteristics
| Compound ID: | 4428-0293 |
| Compound Name: | 4-hydroxy-6-(4-nitrophenyl)-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one |
| Molecular Weight: | 415.35 |
| Molecular Formula: | C16 H12 F3 N3 O5 S |
| Smiles: | c1cc(C(C2C(c3ccc(cc3)[N+]([O-])=O)NC(NC2(C(F)(F)F)O)=O)=O)sc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7134 |
| logD: | 2.7132 |
| logSw: | -3.2025 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.022 |
| InChI Key: | HRGJNHXILMPDRT-UHFFFAOYSA-N |