4-(4-tert-butylbenzene-1-sulfonyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole
Chemical Structure Depiction of
4-(4-tert-butylbenzene-1-sulfonyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole
4-(4-tert-butylbenzene-1-sulfonyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole
Compound characteristics
| Compound ID: | C595-0713 |
| Compound Name: | 4-(4-tert-butylbenzene-1-sulfonyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole |
| Molecular Weight: | 423.46 |
| Molecular Formula: | C20 H20 F3 N3 O2 S |
| Smiles: | Cc1c(nnn1c1cccc(c1)C(F)(F)F)S(c1ccc(cc1)C(C)(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.526 |
| logD: | 5.526 |
| logSw: | -5.7463 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.357 |
| InChI Key: | CVELKJBJWRRGKG-UHFFFAOYSA-N |