5-benzyl-2-{[2-(3-methoxyphenoxy)ethyl]sulfanyl}-6-methylpyrimidin-4(3H)-one
Chemical Structure Depiction of
5-benzyl-2-{[2-(3-methoxyphenoxy)ethyl]sulfanyl}-6-methylpyrimidin-4(3H)-one
5-benzyl-2-{[2-(3-methoxyphenoxy)ethyl]sulfanyl}-6-methylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | D058-0088 |
| Compound Name: | 5-benzyl-2-{[2-(3-methoxyphenoxy)ethyl]sulfanyl}-6-methylpyrimidin-4(3H)-one |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C21 H22 N2 O3 S |
| Smiles: | CC1=C(Cc2ccccc2)C(NC(=N1)SCCOc1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8733 |
| logD: | 3.7861 |
| logSw: | -4.0919 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.842 |
| InChI Key: | CTJCCRCIADPYNX-UHFFFAOYSA-N |