5-ethyl-1-[(3-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
5-ethyl-1-[(3-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxylic acid
5-ethyl-1-[(3-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | T640-0618 |
| Compound Name: | 5-ethyl-1-[(3-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 261.28 |
| Molecular Formula: | C13 H15 N3 O3 |
| Smiles: | CCc1c(C(O)=O)nnn1Cc1cccc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 1.2835 |
| logD: | -2.5123 |
| logSw: | -1.685 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.408 |
| InChI Key: | ZCQSKFYSWLTRSV-UHFFFAOYSA-N |