3-({[4-(3-methylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[4-(3-methylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
3-({[4-(3-methylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V011-0528 |
| Compound Name: | 3-({[4-(3-methylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 401.41 |
| Molecular Formula: | C20 H14 F3 N3 O S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)Oc1cc(C(F)(F)F)nc(n1)SCc1cccc(C#N)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5264 |
| logD: | 5.5264 |
| logSw: | -5.5915 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.965 |
| InChI Key: | ZWCQNWQFUUMKKW-UHFFFAOYSA-N |