1-(2H-1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid
1-(2H-1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | T640-0184 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 339.31 |
| Molecular Formula: | C17 H13 N3 O5 |
| Smiles: | COc1cccc(c1)c1c(C(O)=O)nnn1c1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.387 |
| logD: | -3.5882 |
| logSw: | -2.4561 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.907 |
| InChI Key: | STWGHWUNRGBCPS-UHFFFAOYSA-N |