1-(3-chloro-4-methoxyphenyl)-5-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-1,2,3-triazole
Chemical Structure Depiction of
1-(3-chloro-4-methoxyphenyl)-5-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-1,2,3-triazole
1-(3-chloro-4-methoxyphenyl)-5-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-1,2,3-triazole
Compound characteristics
| Compound ID: | C200-3185 |
| Compound Name: | 1-(3-chloro-4-methoxyphenyl)-5-methyl-4-(4-methylbenzene-1-sulfonyl)-1H-1,2,3-triazole |
| Molecular Weight: | 377.85 |
| Molecular Formula: | C17 H16 Cl N3 O3 S |
| Smiles: | Cc1ccc(cc1)S(c1c(C)n(c2ccc(c(c2)[Cl])OC)nn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6736 |
| logD: | 3.6736 |
| logSw: | -3.9618 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.987 |
| InChI Key: | DTILEJYRCQEZDJ-UHFFFAOYSA-N |