6-(3,4-dimethoxyphenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Chemical Structure Depiction of
6-(3,4-dimethoxyphenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
6-(3,4-dimethoxyphenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Compound characteristics
| Compound ID: | 4593-7509 |
| Compound Name: | 6-(3,4-dimethoxyphenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one |
| Molecular Weight: | 430.4 |
| Molecular Formula: | C18 H17 F3 N2 O5 S |
| Smiles: | COc1ccc(cc1OC)C1C(C(c2cccs2)=O)C(C(F)(F)F)(NC(N1)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4198 |
| logD: | 2.4196 |
| logSw: | -2.9749 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.901 |
| InChI Key: | PWOBWFHKKKSBMV-UHFFFAOYSA-N |