3-({[4-(4-acetylphenoxy)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[4-(4-acetylphenoxy)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
3-({[4-(4-acetylphenoxy)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V005-9847 |
| Compound Name: | 3-({[4-(4-acetylphenoxy)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C23 H21 N3 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)c1cc(nc(n1)SCc1cccc(C#N)c1)Oc1ccc(cc1)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9929 |
| logD: | 4.9929 |
| logSw: | -4.7747 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.791 |
| InChI Key: | BSFSNCBJHNLLJR-UHFFFAOYSA-N |