3-({[4-(2-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[4-(2-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
3-({[4-(2-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V011-6323 |
| Compound Name: | 3-({[4-(2-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 421.83 |
| Molecular Formula: | C19 H11 Cl F3 N3 O S |
| Salt: | not_available |
| Smiles: | C(c1cccc(C#N)c1)Sc1nc(cc(n1)Oc1ccccc1[Cl])C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.6351 |
| logD: | 5.6351 |
| logSw: | -6.1768 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.051 |
| InChI Key: | PAOHPCUILYNDEO-UHFFFAOYSA-N |