3,6-dimethyl-5-[(3-methylphenyl)methyl]-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidin-4(3H)-one
Chemical Structure Depiction of
3,6-dimethyl-5-[(3-methylphenyl)methyl]-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidin-4(3H)-one
3,6-dimethyl-5-[(3-methylphenyl)methyl]-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V025-7640 |
| Compound Name: | 3,6-dimethyl-5-[(3-methylphenyl)methyl]-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidin-4(3H)-one |
| Molecular Weight: | 418.48 |
| Molecular Formula: | C22 H21 F3 N2 O S |
| Smiles: | CC1=C(Cc2cccc(C)c2)C(N(C)C(=N1)SCc1ccc(cc1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1841 |
| logD: | 5.1841 |
| logSw: | -5.0871 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.1882 |
| InChI Key: | RCNQGNBZTTWZJB-UHFFFAOYSA-N |