7-{[(4-methoxyphenyl)sulfanyl]methyl}-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[(4-methoxyphenyl)sulfanyl]methyl}-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[(4-methoxyphenyl)sulfanyl]methyl}-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C679-2700 |
| Compound Name: | 7-{[(4-methoxyphenyl)sulfanyl]methyl}-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 387.5 |
| Molecular Formula: | C17 H13 N3 O2 S3 |
| Smiles: | COc1ccc(cc1)SCC1=CC(N2C(=N1)SC(c1cccs1)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8922 |
| logD: | 3.8922 |
| logSw: | -4.0879 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.561 |
| InChI Key: | JTQHUZSMWHXDDI-UHFFFAOYSA-N |