3-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}propanoic acid
Chemical Structure Depiction of
3-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}propanoic acid
3-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}propanoic acid
Compound characteristics
| Compound ID: | Y040-6508 |
| Compound Name: | 3-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}propanoic acid |
| Molecular Weight: | 285.34 |
| Molecular Formula: | C10 H11 N3 O3 S2 |
| Smiles: | CC1=NN2C(=NC(CSCCC(O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 0.745 |
| logD: | -2.8198 |
| logSw: | -1.176 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.099 |
| InChI Key: | ZHGPFEJXYFLPAO-UHFFFAOYSA-N |