4-(2-{[5-(thiophen-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamido)benzoic acid
Chemical Structure Depiction of
4-(2-{[5-(thiophen-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamido)benzoic acid
4-(2-{[5-(thiophen-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamido)benzoic acid
Compound characteristics
| Compound ID: | Y512-5218 |
| Compound Name: | 4-(2-{[5-(thiophen-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamido)benzoic acid |
| Molecular Weight: | 377.46 |
| Molecular Formula: | C15 H11 N3 O3 S3 |
| Smiles: | C(C(Nc1ccc(cc1)C(O)=O)=O)Sc1nnc(c2cccs2)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.73 |
| logD: | 1.335 |
| logSw: | -4.085 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.14 |
| InChI Key: | VEBYXVPTFFHLHK-UHFFFAOYSA-N |