4-(4-tert-butylbenzene-1-sulfonyl)-1-(2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole
Chemical Structure Depiction of
4-(4-tert-butylbenzene-1-sulfonyl)-1-(2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole
4-(4-tert-butylbenzene-1-sulfonyl)-1-(2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole
Compound characteristics
| Compound ID: | C595-0693 |
| Compound Name: | 4-(4-tert-butylbenzene-1-sulfonyl)-1-(2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole |
| Molecular Weight: | 399.51 |
| Molecular Formula: | C21 H25 N3 O3 S |
| Smiles: | Cc1ccc(c(c1)n1c(C)c(nn1)S(c1ccc(cc1)C(C)(C)C)(=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.9344 |
| logD: | 4.9344 |
| logSw: | -4.7363 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.687 |
| InChI Key: | XQAAHNAFJONDOV-UHFFFAOYSA-N |