N-(5-fluoro-2-methylphenyl)-2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(5-fluoro-2-methylphenyl)-2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(5-fluoro-2-methylphenyl)-2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
Compound ID: | D580-0486 |
Compound Name: | N-(5-fluoro-2-methylphenyl)-2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
Molecular Weight: | 481.54 |
Molecular Formula: | C20 H21 F2 N5 O3 S2 |
Smiles: | Cc1ccc(cc1NC(CSc1nnc(CN(c2ccc(cc2)F)S(C)(=O)=O)n1C)=O)F |
Stereo: | ACHIRAL |
logP: | 1.9031 |
logD: | 1.9029 |
logSw: | -2.7845 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 80.068 |
InChI Key: | KYCPTHCNOONGGE-UHFFFAOYSA-N |