3-({[4-(2-methoxy-4-methylphenoxy)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[4-(2-methoxy-4-methylphenoxy)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
3-({[4-(2-methoxy-4-methylphenoxy)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V006-2482 |
| Compound Name: | 3-({[4-(2-methoxy-4-methylphenoxy)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 405.52 |
| Molecular Formula: | C23 H23 N3 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)c1cc(nc(n1)SCc1cccc(C#N)c1)Oc1ccc(C)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.8895 |
| logD: | 5.8895 |
| logSw: | -5.6313 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.682 |
| InChI Key: | PUNCHPAMSJHYIF-UHFFFAOYSA-N |