3-{2-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]ethyl}-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-{2-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]ethyl}-1H-indole-2-carboxylic acid
3-{2-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]ethyl}-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | 8016-3170 |
| Compound Name: | 3-{2-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]ethyl}-1H-indole-2-carboxylic acid |
| Molecular Weight: | 365.41 |
| Molecular Formula: | C18 H15 N5 O2 S |
| Smiles: | C(Cn1c(c2ccncc2)nnc1S)c1c2ccccc2[nH]c1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.579 |
| logD: | -1.2605 |
| logSw: | -1.6861 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.649 |
| InChI Key: | MLPFUIKXQGLNCX-UHFFFAOYSA-N |