7-{[(4-methoxyphenyl)sulfanyl]methyl}-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[(4-methoxyphenyl)sulfanyl]methyl}-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[(4-methoxyphenyl)sulfanyl]methyl}-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C679-3389 |
| Compound Name: | 7-{[(4-methoxyphenyl)sulfanyl]methyl}-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 381.47 |
| Molecular Formula: | C19 H15 N3 O2 S2 |
| Smiles: | COc1ccc(cc1)SCC1=CC(N2C(=N1)SC(c1ccccc1)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9502 |
| logD: | 3.9501 |
| logSw: | -4.1331 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.543 |
| InChI Key: | PYJAPCFPWVXAAW-UHFFFAOYSA-N |