(2,5-dimethylphenyl)methyl 1-(3-chloro-4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
(2,5-dimethylphenyl)methyl 1-(3-chloro-4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
(2,5-dimethylphenyl)methyl 1-(3-chloro-4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | F152-0186 |
| Compound Name: | (2,5-dimethylphenyl)methyl 1-(3-chloro-4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 385.85 |
| Molecular Formula: | C20 H20 Cl N3 O3 |
| Smiles: | Cc1ccc(C)c(COC(c2c(C)n(c3ccc(c(c3)[Cl])OC)nn2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.3824 |
| logD: | 4.3824 |
| logSw: | -4.4587 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.569 |
| InChI Key: | AVIRBFULPPLUKO-UHFFFAOYSA-N |