6-(2H-1,3-benzodioxol-5-yl)-5-(4-chlorobenzoyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
Chemical Structure Depiction of
6-(2H-1,3-benzodioxol-5-yl)-5-(4-chlorobenzoyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
6-(2H-1,3-benzodioxol-5-yl)-5-(4-chlorobenzoyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
Compound characteristics
| Compound ID: | 4618-0159 |
| Compound Name: | 6-(2H-1,3-benzodioxol-5-yl)-5-(4-chlorobenzoyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one |
| Molecular Weight: | 442.78 |
| Molecular Formula: | C19 H14 Cl F3 N2 O5 |
| Smiles: | C1Oc2ccc(cc2O1)C1C(C(c2ccc(cc2)[Cl])=O)C(C(F)(F)F)(NC(N1)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.376 |
| logD: | 3.3758 |
| logSw: | -3.9298 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.738 |
| InChI Key: | PGCKAJIVIJLFNR-UHFFFAOYSA-N |