7-[(benzylsulfanyl)methyl]-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-[(benzylsulfanyl)methyl]-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-[(benzylsulfanyl)methyl]-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C679-3465 |
| Compound Name: | 7-[(benzylsulfanyl)methyl]-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 371.5 |
| Molecular Formula: | C17 H13 N3 O S3 |
| Smiles: | C(C1=CC(N2C(=N1)SC(c1cccs1)=N2)=O)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.959 |
| logD: | 3.959 |
| logSw: | -4.2196 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.018 |
| InChI Key: | NJZYMUNOPQEURO-UHFFFAOYSA-N |