benzyl 1-(3-chloro-4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
benzyl 1-(3-chloro-4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
benzyl 1-(3-chloro-4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | F152-0183 |
| Compound Name: | benzyl 1-(3-chloro-4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 357.79 |
| Molecular Formula: | C18 H16 Cl N3 O3 |
| Smiles: | Cc1c(C(=O)OCc2ccccc2)nnn1c1ccc(c(c1)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 3.3664 |
| logD: | 3.3664 |
| logSw: | -3.4957 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.569 |
| InChI Key: | PGHXVCXIAWZYSY-UHFFFAOYSA-N |