4-hydroxy-6-(3-nitrophenyl)-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Chemical Structure Depiction of
4-hydroxy-6-(3-nitrophenyl)-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
4-hydroxy-6-(3-nitrophenyl)-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Compound characteristics
| Compound ID: | 4428-0292 |
| Compound Name: | 4-hydroxy-6-(3-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(cc(c1)[N+]([O-])=O)C1C(C(c2cccs2)=O)C(C(F)(F)F)(NC(N1)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6296 |
| logD: | 2.6294 |
| logSw: | -3.0418 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.022 |
| InChI Key: | NQSQSODDYSCIEY-UHFFFAOYSA-N |