6-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-5-(4-methoxybenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Chemical Structure Depiction of
6-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-5-(4-methoxybenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
6-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-5-(4-methoxybenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Compound characteristics
| Compound ID: | 4618-0166 |
| Compound Name: | 6-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-5-(4-methoxybenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one |
| Molecular Weight: | 438.36 |
| Molecular Formula: | C20 H17 F3 N2 O6 |
| Smiles: | COc1ccc(cc1)C(C1C(c2ccc3c(c2)OCO3)NC(NC1(C(F)(F)F)O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7637 |
| logD: | 2.7634 |
| logSw: | -3.302 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.281 |
| InChI Key: | PRTCGQRTMLEBJQ-UHFFFAOYSA-N |