4-hydroxy-5-(4-methylbenzoyl)-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Chemical Structure Depiction of
4-hydroxy-5-(4-methylbenzoyl)-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
4-hydroxy-5-(4-methylbenzoyl)-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Compound characteristics
| Compound ID: | 4618-0146 |
| Compound Name: | 4-hydroxy-5-(4-methylbenzoyl)-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one |
| Molecular Weight: | 423.35 |
| Molecular Formula: | C19 H16 F3 N3 O5 |
| Smiles: | Cc1ccc(cc1)C(C1C(c2cccc(c2)[N+]([O-])=O)NC(NC1(C(F)(F)F)O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1163 |
| logD: | 3.116 |
| logSw: | -3.3463 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.004 |
| InChI Key: | TUHGGHNGNPMCAZ-UHFFFAOYSA-N |