3-({[4-(2,3-dimethylphenoxy)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[4-(2,3-dimethylphenoxy)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
3-({[4-(2,3-dimethylphenoxy)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V002-0594 |
| Compound Name: | 3-({[4-(2,3-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)Oc1cccc(C)c1C |
| Stereo: | ACHIRAL |
| logP: | 6.3745 |
| logD: | 6.3745 |
| logSw: | -5.7624 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.051 |
| InChI Key: | TXWPNRQDZMTCKY-UHFFFAOYSA-N |