4-(4-tert-butylbenzene-1-sulfonyl)-1-(3-chloro-4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole
Chemical Structure Depiction of
4-(4-tert-butylbenzene-1-sulfonyl)-1-(3-chloro-4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole
4-(4-tert-butylbenzene-1-sulfonyl)-1-(3-chloro-4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole
Compound characteristics
| Compound ID: | C595-0691 |
| Compound Name: | 4-(4-tert-butylbenzene-1-sulfonyl)-1-(3-chloro-4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole |
| Molecular Weight: | 419.93 |
| Molecular Formula: | C20 H22 Cl N3 O3 S |
| Smiles: | Cc1c(nnn1c1ccc(c(c1)[Cl])OC)S(c1ccc(cc1)C(C)(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0447 |
| logD: | 5.0447 |
| logSw: | -5.491 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.987 |
| InChI Key: | GCHXTUCPMIBWOD-UHFFFAOYSA-N |