2,4,6-trimethyl-N-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)benzene-1-sulfonamide
Chemical Structure Depiction of
2,4,6-trimethyl-N-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)benzene-1-sulfonamide
2,4,6-trimethyl-N-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)benzene-1-sulfonamide
Compound characteristics
Compound ID: | G718-0866 |
Compound Name: | 2,4,6-trimethyl-N-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)benzene-1-sulfonamide |
Molecular Weight: | 398.53 |
Molecular Formula: | C21 H26 N4 O2 S |
Smiles: | Cc1ccc(Cc2nc(CCNS(c3c(C)cc(C)cc3C)(=O)=O)n[nH]2)cc1 |
Stereo: | ACHIRAL |
logP: | 4.79 |
logD: | 4.7852 |
logSw: | -4.477 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 77.604 |
InChI Key: | VQDLFFFCEAATHX-UHFFFAOYSA-N |