6-methyl-2-{[2-(2-methylphenoxy)ethyl]sulfanyl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-methyl-2-{[2-(2-methylphenoxy)ethyl]sulfanyl}pyrimidin-4(3H)-one
6-methyl-2-{[2-(2-methylphenoxy)ethyl]sulfanyl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 4657-0419 |
| Compound Name: | 6-methyl-2-{[2-(2-methylphenoxy)ethyl]sulfanyl}pyrimidin-4(3H)-one |
| Molecular Weight: | 276.35 |
| Molecular Formula: | C14 H16 N2 O2 S |
| Smiles: | CC1=CC(NC(=N1)SCCOc1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5138 |
| logD: | 1.7793 |
| logSw: | -2.7006 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.804 |
| InChI Key: | IONMMVOPQVVOHH-UHFFFAOYSA-N |