5-propyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
5-propyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid
5-propyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | T640-0640 |
| Compound Name: | 5-propyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 313.28 |
| Molecular Formula: | C14 H14 F3 N3 O2 |
| Smiles: | CCCc1c(C(O)=O)nnn1Cc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 2.5087 |
| logD: | -1.287 |
| logSw: | -2.3057 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.864 |
| InChI Key: | JORCBXBQRONCTC-UHFFFAOYSA-N |