N-(2,4-difluorophenyl)-2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2,4-difluorophenyl)-2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(2,4-difluorophenyl)-2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
Compound ID: | D532-0238 |
Compound Name: | N-(2,4-difluorophenyl)-2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
Molecular Weight: | 485.51 |
Molecular Formula: | C19 H18 F3 N5 O3 S2 |
Smiles: | Cn1c(CN(c2ccc(cc2)F)S(C)(=O)=O)nnc1SCC(Nc1ccc(cc1F)F)=O |
Stereo: | ACHIRAL |
logP: | 1.8967 |
logD: | 1.8884 |
logSw: | -2.8493 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 80.068 |
InChI Key: | PKIBIQWNIGUUSV-UHFFFAOYSA-N |