4-(2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid
Chemical Structure Depiction of
4-(2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid
4-(2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid
Compound characteristics
| Compound ID: | 8016-6228 |
| Compound Name: | 4-(2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid |
| Molecular Weight: | 369.4 |
| Molecular Formula: | C17 H15 N5 O3 S |
| Smiles: | Cn1c(c2ccncc2)nnc1SCC(Nc1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.814 |
| logD: | -0.5812 |
| logSw: | -2.1252 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.036 |
| InChI Key: | HXTFVPXZSBVXRO-UHFFFAOYSA-N |