4-(4-tert-butylbenzene-1-sulfonyl)-1-(3-fluoro-4-methylphenyl)-5-methyl-1H-1,2,3-triazole
Chemical Structure Depiction of
4-(4-tert-butylbenzene-1-sulfonyl)-1-(3-fluoro-4-methylphenyl)-5-methyl-1H-1,2,3-triazole
4-(4-tert-butylbenzene-1-sulfonyl)-1-(3-fluoro-4-methylphenyl)-5-methyl-1H-1,2,3-triazole
Compound characteristics
| Compound ID: | C595-0720 |
| Compound Name: | 4-(4-tert-butylbenzene-1-sulfonyl)-1-(3-fluoro-4-methylphenyl)-5-methyl-1H-1,2,3-triazole |
| Molecular Weight: | 387.47 |
| Molecular Formula: | C20 H22 F N3 O2 S |
| Smiles: | Cc1ccc(cc1F)n1c(C)c(nn1)S(c1ccc(cc1)C(C)(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3306 |
| logD: | 5.3306 |
| logSw: | -5.5049 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.357 |
| InChI Key: | PCJCQXAUAUFIEK-UHFFFAOYSA-N |