2-({[2-(2-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)benzoic acid
Chemical Structure Depiction of
2-({[2-(2-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)benzoic acid
2-({[2-(2-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)benzoic acid
Compound characteristics
| Compound ID: | C679-2662 |
| Compound Name: | 2-({[2-(2-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)benzoic acid |
| Molecular Weight: | 429.9 |
| Molecular Formula: | C19 H12 Cl N3 O3 S2 |
| Smiles: | C(C1=CC(N2C(=N1)SC(c1ccccc1[Cl])=N2)=O)Sc1ccccc1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9462 |
| logD: | 1.3348 |
| logSw: | -3.9778 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.407 |
| InChI Key: | HVLQUWMUXLFDON-UHFFFAOYSA-N |