6-(3,4-dimethoxyphenyl)-4-hydroxy-5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Chemical Structure Depiction of
6-(3,4-dimethoxyphenyl)-4-hydroxy-5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
6-(3,4-dimethoxyphenyl)-4-hydroxy-5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Compound characteristics
| Compound ID: | 4428-0276 |
| Compound Name: | 6-(3,4-dimethoxyphenyl)-4-hydroxy-5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one |
| Molecular Weight: | 438.4 |
| Molecular Formula: | C21 H21 F3 N2 O5 |
| Smiles: | Cc1ccc(cc1)C(C1C(c2ccc(c(c2)OC)OC)NC(NC1(C(F)(F)F)O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9065 |
| logD: | 2.9062 |
| logSw: | -3.3229 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.883 |
| InChI Key: | VVCZJTICMGHIIA-UHFFFAOYSA-N |