2-({[2-(furan-2-yl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)benzoic acid
Chemical Structure Depiction of
2-({[2-(furan-2-yl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)benzoic acid
2-({[2-(furan-2-yl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)benzoic acid
Compound characteristics
| Compound ID: | C679-2671 |
| Compound Name: | 2-({[2-(furan-2-yl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)benzoic acid |
| Molecular Weight: | 385.42 |
| Molecular Formula: | C17 H11 N3 O4 S2 |
| Smiles: | C(C1=CC(N2C(=N1)SC(c1ccco1)=N2)=O)Sc1ccccc1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6321 |
| logD: | 0.0207 |
| logSw: | -3.0396 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.986 |
| InChI Key: | TWOYPHNWYYAQDW-UHFFFAOYSA-N |