1-[(2,5-dimethylphenyl)methyl]-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-[(2,5-dimethylphenyl)methyl]-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxylic acid
1-[(2,5-dimethylphenyl)methyl]-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | T640-0790 |
| Compound Name: | 1-[(2,5-dimethylphenyl)methyl]-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 308.34 |
| Molecular Formula: | C17 H16 N4 O2 |
| Smiles: | Cc1ccc(C)c(Cn2c(c3cccnc3)c(C(O)=O)nn2)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.1798 |
| logD: | -1.1909 |
| logSw: | -1.9034 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.629 |
| InChI Key: | ZGHFJNDUMFCXKO-UHFFFAOYSA-N |