2-({[2-(ethylsulfanyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)benzoic acid
Chemical Structure Depiction of
2-({[2-(ethylsulfanyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)benzoic acid
2-({[2-(ethylsulfanyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)benzoic acid
Compound characteristics
| Compound ID: | C679-2577 |
| Compound Name: | 2-({[2-(ethylsulfanyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)benzoic acid |
| Molecular Weight: | 379.48 |
| Molecular Formula: | C15 H13 N3 O3 S3 |
| Smiles: | CCSC1=NN2C(=NC(CSc3ccccc3C(O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.4523 |
| logD: | 0.8409 |
| logSw: | -3.6231 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.098 |
| InChI Key: | NWLLJIYVCOATCW-UHFFFAOYSA-N |