3-{[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]methyl}benzoic acid
Chemical Structure Depiction of
3-{[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]methyl}benzoic acid
3-{[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]methyl}benzoic acid
Compound characteristics
| Compound ID: | 8019-9824 |
| Compound Name: | 3-{[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]methyl}benzoic acid |
| Molecular Weight: | 312.35 |
| Molecular Formula: | C15 H12 N4 O2 S |
| Smiles: | C(c1cccc(c1)C(O)=O)n1c(c2ccncc2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.1108 |
| logD: | -1.2506 |
| logSw: | -2.0776 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.551 |
| InChI Key: | PBPNFBYQCPMFHI-UHFFFAOYSA-N |