5-benzyl-2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-6-methylpyrimidin-4(3H)-one
Chemical Structure Depiction of
5-benzyl-2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-6-methylpyrimidin-4(3H)-one
5-benzyl-2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-6-methylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8016-3916 |
| Compound Name: | 5-benzyl-2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-6-methylpyrimidin-4(3H)-one |
| Molecular Weight: | 380.51 |
| Molecular Formula: | C22 H24 N2 O2 S |
| Smiles: | CC1=C(Cc2ccccc2)C(NC(=N1)SCCOc1cc(C)cc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7088 |
| logD: | 4.6216 |
| logSw: | -4.4592 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.299 |
| InChI Key: | JATIUQUPVNCJOU-UHFFFAOYSA-N |