2-{2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide
Chemical Structure Depiction of
2-{2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide
2-{2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide
Compound characteristics
| Compound ID: | D583-1641 |
| Compound Name: | 2-{2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide |
| Molecular Weight: | 474.56 |
| Molecular Formula: | C20 H22 N6 O4 S2 |
| Smiles: | Cn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(Nc1ccccc1C(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4176 |
| logD: | 0.4174 |
| logSw: | -2.526 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 114.127 |
| InChI Key: | WRDNJYSQIDXXPH-UHFFFAOYSA-N |