3-({[4-(3,4-dimethylphenoxy)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[4-(3,4-dimethylphenoxy)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
3-({[4-(3,4-dimethylphenoxy)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V002-0582 |
| Compound Name: | 3-({[4-(3,4-dimethylphenoxy)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 389.52 |
| Molecular Formula: | C23 H23 N3 O S |
| Salt: | not_available |
| Smiles: | CC(C)c1cc(nc(n1)SCc1cccc(C#N)c1)Oc1ccc(C)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.4012 |
| logD: | 6.4012 |
| logSw: | -5.8117 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.965 |
| InChI Key: | AVXOSWKMVFOPOR-UHFFFAOYSA-N |