2-{[(3,5-difluorophenyl)methyl]sulfanyl}-3,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(3,5-difluorophenyl)methyl]sulfanyl}-3,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidin-4(3H)-one
2-{[(3,5-difluorophenyl)methyl]sulfanyl}-3,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V026-6844 |
| Compound Name: | 2-{[(3,5-difluorophenyl)methyl]sulfanyl}-3,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidin-4(3H)-one |
| Molecular Weight: | 386.46 |
| Molecular Formula: | C21 H20 F2 N2 O S |
| Smiles: | CC1=C(Cc2cccc(C)c2)C(N(C)C(=N1)SCc1cc(cc(c1)F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9966 |
| logD: | 4.9966 |
| logSw: | -4.7948 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.1882 |
| InChI Key: | XPNQLJNYRINDPQ-UHFFFAOYSA-N |