1-(3,4-dimethylphenyl)-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-(3,4-dimethylphenyl)-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid
1-(3,4-dimethylphenyl)-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | T640-0040 |
| Compound Name: | 1-(3,4-dimethylphenyl)-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 245.28 |
| Molecular Formula: | C13 H15 N3 O2 |
| Smiles: | CCc1c(C(O)=O)nnn1c1ccc(C)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.4629 |
| logD: | -3.4233 |
| logSw: | -2.2409 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55 |
| InChI Key: | MTDHWWUYHQGUPL-UHFFFAOYSA-N |