3-({[4-(2,3-dimethylphenoxy)-6-methylpyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[4-(2,3-dimethylphenoxy)-6-methylpyrimidin-2-yl]sulfanyl}methyl)benzonitrile
3-({[4-(2,3-dimethylphenoxy)-6-methylpyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V030-5542 |
| Compound Name: | 3-({[4-(2,3-dimethylphenoxy)-6-methylpyrimidin-2-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C21 H19 N3 O S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1C)Oc1cc(C)nc(n1)SCc1cccc(C#N)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.2897 |
| logD: | 5.2897 |
| logSw: | -5.5236 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.858 |
| InChI Key: | OGVQRNGHHPNAMM-UHFFFAOYSA-N |