N-(5-chloro-2-hydroxyphenyl)-2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(5-chloro-2-hydroxyphenyl)-2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(5-chloro-2-hydroxyphenyl)-2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
Compound ID: | D580-1728 |
Compound Name: | N-(5-chloro-2-hydroxyphenyl)-2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
Molecular Weight: | 496.01 |
Molecular Formula: | C20 H22 Cl N5 O4 S2 |
Smiles: | Cc1ccc(cc1)N(Cc1nnc(n1C)SCC(Nc1cc(ccc1O)[Cl])=O)S(C)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.4317 |
logD: | 2.4301 |
logSw: | -3.0981 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 96.616 |
InChI Key: | HWHGTZXFSLUARN-UHFFFAOYSA-N |