2-{[6-(2-acetamido-3-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2,6-difluorophenyl)acetamide
Chemical Structure Depiction of
2-{[6-(2-acetamido-3-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2,6-difluorophenyl)acetamide
2-{[6-(2-acetamido-3-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2,6-difluorophenyl)acetamide
Compound characteristics
Compound ID: | J041-0002 |
Compound Name: | 2-{[6-(2-acetamido-3-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2,6-difluorophenyl)acetamide |
Molecular Weight: | 445.45 |
Molecular Formula: | C20 H17 F2 N5 O3 S |
Smiles: | CC(Nc1c(C)cccc1C1C(NC(=NN=1)SCC(Nc1c(cccc1F)F)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.8419 |
logD: | 1.8077 |
logSw: | -2.5514 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 88.416 |
InChI Key: | FTXHQKQNXBCMML-UHFFFAOYSA-N |