2-{[2-(3,4-dimethylphenoxy)ethyl]sulfanyl}-6-phenylpyrimidin-4(1H)-one
Chemical Structure Depiction of
2-{[2-(3,4-dimethylphenoxy)ethyl]sulfanyl}-6-phenylpyrimidin-4(1H)-one
2-{[2-(3,4-dimethylphenoxy)ethyl]sulfanyl}-6-phenylpyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 4158-0289 |
| Compound Name: | 2-{[2-(3,4-dimethylphenoxy)ethyl]sulfanyl}-6-phenylpyrimidin-4(1H)-one |
| Molecular Weight: | 352.45 |
| Molecular Formula: | C20 H20 N2 O2 S |
| Smiles: | Cc1ccc(cc1C)OCCSC1NC(=CC(N=1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5899 |
| logD: | 1.6844 |
| logSw: | -4.4029 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.947 |
| InChI Key: | YXMGOVGTHRMGBT-UHFFFAOYSA-N |