4-acetyl-N-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-acetyl-N-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)benzene-1-sulfonamide
4-acetyl-N-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | G718-0938 |
| Compound Name: | 4-acetyl-N-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)benzene-1-sulfonamide |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C20 H22 N4 O3 S |
| Smiles: | CC(c1ccc(cc1)S(NCCc1nc(Cc2ccc(C)cc2)[nH]n1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1133 |
| logD: | 3.1119 |
| logSw: | -3.4866 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.431 |
| InChI Key: | PXPGRRYQRPFNQF-UHFFFAOYSA-N |