6-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Chemical Structure Depiction of
6-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
6-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Compound characteristics
| Compound ID: | 4618-0110 |
| Compound Name: | 6-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one |
| Molecular Weight: | 422.36 |
| Molecular Formula: | C20 H17 F3 N2 O5 |
| Smiles: | Cc1ccc(cc1)C(C1C(c2ccc3c(c2)OCO3)NC(NC1(C(F)(F)F)O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2047 |
| logD: | 3.2044 |
| logSw: | -3.1695 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.738 |
| InChI Key: | HRMXAWGZWPUXLM-UHFFFAOYSA-N |