1-(3,5-dimethoxyphenyl)-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-(3,5-dimethoxyphenyl)-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid
1-(3,5-dimethoxyphenyl)-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | T640-0134 |
| Compound Name: | 1-(3,5-dimethoxyphenyl)-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 277.28 |
| Molecular Formula: | C13 H15 N3 O4 |
| Smiles: | CCc1c(C(O)=O)nnn1c1cc(cc(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 1.6878 |
| logD: | -4.1984 |
| logSw: | -1.4251 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.088 |
| InChI Key: | PESCABUMWUVVCA-UHFFFAOYSA-N |