5-ethyl-1-[(2-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
5-ethyl-1-[(2-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxylic acid
5-ethyl-1-[(2-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | T640-0611 |
| Compound Name: | 5-ethyl-1-[(2-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 245.28 |
| Molecular Formula: | C13 H15 N3 O2 |
| Smiles: | CCc1c(C(O)=O)nnn1Cc1ccccc1C |
| Stereo: | ACHIRAL |
| logP: | 2.0191 |
| logD: | -1.7767 |
| logSw: | -2.0236 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.864 |
| InChI Key: | FSWWJVBRTVOWLQ-UHFFFAOYSA-N |