3-({[4-(2-chlorophenoxy)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[4-(2-chlorophenoxy)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
3-({[4-(2-chlorophenoxy)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V004-0736 |
| Compound Name: | 3-({[4-(2-chlorophenoxy)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 395.91 |
| Molecular Formula: | C21 H18 Cl N3 O S |
| Salt: | not_available |
| Smiles: | CC(C)c1cc(nc(n1)SCc1cccc(C#N)c1)Oc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.9648 |
| logD: | 5.9648 |
| logSw: | -6.2083 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.051 |
| InChI Key: | FSLPTHHGMKOUHJ-UHFFFAOYSA-N |