2-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-6-methylpyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-6-methylpyrimidin-4(3H)-one
2-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-6-methylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 4657-0436 |
| Compound Name: | 2-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-6-methylpyrimidin-4(3H)-one |
| Molecular Weight: | 318.44 |
| Molecular Formula: | C17 H22 N2 O2 S |
| Smiles: | CC1=CC(NC(=N1)SCCOc1ccc(cc1)C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8328 |
| logD: | 1.5836 |
| logSw: | -3.969 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.718 |
| InChI Key: | JELSFJJIGQXGLA-UHFFFAOYSA-N |