N-({4-methyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-methylphenyl)methanesulfonamide
Chemical Structure Depiction of
N-({4-methyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-methylphenyl)methanesulfonamide
N-({4-methyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-methylphenyl)methanesulfonamide
Compound characteristics
| Compound ID: | D583-1807 |
| Compound Name: | N-({4-methyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-methylphenyl)methanesulfonamide |
| Molecular Weight: | 430.55 |
| Molecular Formula: | C20 H22 N4 O3 S2 |
| Smiles: | Cc1ccc(cc1)N(Cc1nnc(n1C)SCC(c1ccccc1)=O)S(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3972 |
| logD: | 2.3972 |
| logSw: | -2.6181 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.863 |
| InChI Key: | QZQFLKDZMOVTIY-UHFFFAOYSA-N |