2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-6-propylpyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-6-propylpyrimidin-4(3H)-one
2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-6-propylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8016-3919 |
| Compound Name: | 2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-6-propylpyrimidin-4(3H)-one |
| Molecular Weight: | 318.44 |
| Molecular Formula: | C17 H22 N2 O2 S |
| Smiles: | CCCC1=CC(NC(=N1)SCCOc1cc(C)cc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0476 |
| logD: | 3.3298 |
| logSw: | -3.9692 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.325 |
| InChI Key: | NLNPJLYCSQWXGW-UHFFFAOYSA-N |