1-(2H-1,3-benzodioxol-5-yl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxylic acid
1-(2H-1,3-benzodioxol-5-yl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | T640-0179 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 310.27 |
| Molecular Formula: | C15 H10 N4 O4 |
| Smiles: | C1Oc2ccc(cc2O1)n1c(c2cccnc2)c(C(O)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 1.0196 |
| logD: | -4.4414 |
| logSw: | -1.1945 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.881 |
| InChI Key: | NOELIHMVAGGUBR-UHFFFAOYSA-N |