1-(3,4-dimethoxyphenyl)-5-phenyl-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-(3,4-dimethoxyphenyl)-5-phenyl-1H-1,2,3-triazole-4-carboxylic acid
1-(3,4-dimethoxyphenyl)-5-phenyl-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | T640-0122 |
| Compound Name: | 1-(3,4-dimethoxyphenyl)-5-phenyl-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 325.32 |
| Molecular Formula: | C17 H15 N3 O4 |
| Smiles: | COc1ccc(cc1OC)n1c(c2ccccc2)c(C(O)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 1.8351 |
| logD: | -4.1401 |
| logSw: | -2.0682 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.508 |
| InChI Key: | BIUFRILYXXFPGR-UHFFFAOYSA-N |