2-({[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)benzoic acid
Chemical Structure Depiction of
2-({[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)benzoic acid
2-({[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)benzoic acid
Compound characteristics
| Compound ID: | C679-2690 |
| Compound Name: | 2-({[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)benzoic acid |
| Molecular Weight: | 401.48 |
| Molecular Formula: | C17 H11 N3 O3 S3 |
| Smiles: | C(C1=CC(N2C(=N1)SC(c1cccs1)=N2)=O)Sc1ccccc1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.37 |
| logD: | 0.7586 |
| logSw: | -3.6132 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.426 |
| InChI Key: | YVMKERHTHUSRIT-UHFFFAOYSA-N |