4-hydroxy-5-(4-methoxybenzoyl)-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Chemical Structure Depiction of
4-hydroxy-5-(4-methoxybenzoyl)-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
4-hydroxy-5-(4-methoxybenzoyl)-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Compound characteristics
| Compound ID: | 4428-0290 |
| Compound Name: | 4-hydroxy-5-(4-methoxybenzoyl)-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one |
| Molecular Weight: | 439.35 |
| Molecular Formula: | C19 H16 F3 N3 O6 |
| Smiles: | COc1ccc(cc1)C(C1C(c2cccc(c2)[N+]([O-])=O)NC(NC1(C(F)(F)F)O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6753 |
| logD: | 2.675 |
| logSw: | -3.1736 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.547 |
| InChI Key: | KBQZNKGWZLRXRM-UHFFFAOYSA-N |