7-{[(4-methylphenyl)sulfanyl]methyl}-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[(4-methylphenyl)sulfanyl]methyl}-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[(4-methylphenyl)sulfanyl]methyl}-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G072-1775 |
| Compound Name: | 7-{[(4-methylphenyl)sulfanyl]methyl}-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 331.46 |
| Molecular Formula: | C16 H17 N3 O S2 |
| Smiles: | CCCC1=NN2C(=NC(CSc3ccc(C)cc3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.2483 |
| logD: | 4.2463 |
| logSw: | -4.1272 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.174 |
| InChI Key: | GFSLUSFYXFHXKI-UHFFFAOYSA-N |