3-({[4-(2-methoxy-4-methylphenoxy)-6-methylpyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[4-(2-methoxy-4-methylphenoxy)-6-methylpyrimidin-2-yl]sulfanyl}methyl)benzonitrile
3-({[4-(2-methoxy-4-methylphenoxy)-6-methylpyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V011-6392 |
| Compound Name: | 3-({[4-(2-methoxy-4-methylphenoxy)-6-methylpyrimidin-2-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 377.46 |
| Molecular Formula: | C21 H19 N3 O2 S |
| Smiles: | Cc1ccc(c(c1)OC)Oc1cc(C)nc(n1)SCc1cccc(C#N)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.8047 |
| logD: | 4.8047 |
| logSw: | -4.8167 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.488 |
| InChI Key: | GBUMYOFCSOHDBD-UHFFFAOYSA-N |