5-benzyl-6-methyl-2-{[2-(4-methylphenoxy)ethyl]sulfanyl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
5-benzyl-6-methyl-2-{[2-(4-methylphenoxy)ethyl]sulfanyl}pyrimidin-4(3H)-one
5-benzyl-6-methyl-2-{[2-(4-methylphenoxy)ethyl]sulfanyl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | D058-0079 |
| Compound Name: | 5-benzyl-6-methyl-2-{[2-(4-methylphenoxy)ethyl]sulfanyl}pyrimidin-4(3H)-one |
| Molecular Weight: | 366.48 |
| Molecular Formula: | C21 H22 N2 O2 S |
| Smiles: | CC1=C(Cc2ccccc2)C(NC(=N1)SCCOc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2491 |
| logD: | 4.162 |
| logSw: | -4.228 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.299 |
| InChI Key: | MXRXWLOCLLHQIG-UHFFFAOYSA-N |