2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-6-methylpyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-6-methylpyrimidin-4(3H)-one
2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-6-methylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8016-3591 |
| Compound Name: | 2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-6-methylpyrimidin-4(3H)-one |
| Molecular Weight: | 296.77 |
| Molecular Formula: | C13 H13 Cl N2 O2 S |
| Smiles: | CC1=CC(NC(=N1)SCCOc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6977 |
| logD: | 1.9632 |
| logSw: | -3.5266 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.718 |
| InChI Key: | FKPHOWCSVZYLTP-UHFFFAOYSA-N |