N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
Compound ID: | D580-0514 |
Compound Name: | N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
Molecular Weight: | 485.58 |
Molecular Formula: | C17 H20 F N7 O3 S3 |
Smiles: | CCc1nnc(NC(CSc2nnc(CN(c3ccc(cc3)F)S(C)(=O)=O)n2C)=O)s1 |
Stereo: | ACHIRAL |
logP: | 1.5721 |
logD: | 1.5244 |
logSw: | -2.5145 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 104.806 |
InChI Key: | QESMRUVWVGEEDC-UHFFFAOYSA-N |