5-benzyl-6-methyl-2-[(2-phenoxyethyl)sulfanyl]pyrimidin-4(3H)-one
Chemical Structure Depiction of
5-benzyl-6-methyl-2-[(2-phenoxyethyl)sulfanyl]pyrimidin-4(3H)-one
5-benzyl-6-methyl-2-[(2-phenoxyethyl)sulfanyl]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8018-0436 |
| Compound Name: | 5-benzyl-6-methyl-2-[(2-phenoxyethyl)sulfanyl]pyrimidin-4(3H)-one |
| Molecular Weight: | 352.45 |
| Molecular Formula: | C20 H20 N2 O2 S |
| Smiles: | CC1=C(Cc2ccccc2)C(NC(=N1)SCCOc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7972 |
| logD: | 3.71 |
| logSw: | -3.9708 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.299 |
| InChI Key: | BLIVYKZHSIHQOE-UHFFFAOYSA-N |