1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxylic acid
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | T640-0195 |
| Compound Name: | 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 324.29 |
| Molecular Formula: | C16 H12 N4 O4 |
| Smiles: | C1COc2cc(ccc2O1)n1c(c2ccccn2)c(C(O)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 0.4725 |
| logD: | -6.6992 |
| logSw: | -1.3391 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.118 |
| InChI Key: | LBQLHOAUDXKACG-UHFFFAOYSA-N |