3,5,6-trimethyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidin-4(3H)-one
Chemical Structure Depiction of
3,5,6-trimethyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidin-4(3H)-one
3,5,6-trimethyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V029-5246 |
| Compound Name: | 3,5,6-trimethyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidin-4(3H)-one |
| Molecular Weight: | 328.35 |
| Molecular Formula: | C15 H15 F3 N2 O S |
| Smiles: | CC1=C(C)N=C(N(C)C1=O)SCc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.1635 |
| logD: | 3.1635 |
| logSw: | -3.2304 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.4597 |
| InChI Key: | KSOPYNAAGZWJPW-UHFFFAOYSA-N |