2-[({4-ethyl-6-[4-(propan-2-yl)phenoxy]pyrimidin-2-yl}sulfanyl)methyl]benzonitrile
Chemical Structure Depiction of
2-[({4-ethyl-6-[4-(propan-2-yl)phenoxy]pyrimidin-2-yl}sulfanyl)methyl]benzonitrile
2-[({4-ethyl-6-[4-(propan-2-yl)phenoxy]pyrimidin-2-yl}sulfanyl)methyl]benzonitrile
Compound characteristics
| Compound ID: | V021-7822 |
| Compound Name: | 2-[({4-ethyl-6-[4-(propan-2-yl)phenoxy]pyrimidin-2-yl}sulfanyl)methyl]benzonitrile |
| Molecular Weight: | 389.52 |
| Molecular Formula: | C23 H23 N3 O S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1ccccc1C#N)Oc1ccc(cc1)C(C)C |
| Stereo: | ACHIRAL |
| logP: | 6.5537 |
| logD: | 6.5537 |
| logSw: | -5.8463 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.46 |
| InChI Key: | XQUWVQBVTLOKQQ-UHFFFAOYSA-N |