2-({[4-(3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
2-({[4-(3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]sulfanyl}methyl)benzonitrile
2-({[4-(3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V022-3548 |
| Compound Name: | 2-({[4-(3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C21 H19 N3 O S |
| Smiles: | Cc1cc(C)cc(c1)Oc1cc(C)nc(n1)SCc1ccccc1C#N |
| Stereo: | ACHIRAL |
| logP: | 5.3766 |
| logD: | 5.3766 |
| logSw: | -5.4881 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.771 |
| InChI Key: | MLKIKVDDPPPBQT-UHFFFAOYSA-N |