1-(2H-1,3-benzodioxol-5-yl)-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid
1-(2H-1,3-benzodioxol-5-yl)-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | T640-0173 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 261.23 |
| Molecular Formula: | C12 H11 N3 O4 |
| Smiles: | CCc1c(C(O)=O)nnn1c1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 1.2863 |
| logD: | -4.5999 |
| logSw: | -1.9654 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.115 |
| InChI Key: | OUCDWPASTMKSJR-UHFFFAOYSA-N |