2-{[6-(2-acetamido-3-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-acetylphenyl)acetamide
Chemical Structure Depiction of
2-{[6-(2-acetamido-3-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-acetylphenyl)acetamide
2-{[6-(2-acetamido-3-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-acetylphenyl)acetamide
Compound characteristics
Compound ID: | J041-0031 |
Compound Name: | 2-{[6-(2-acetamido-3-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-acetylphenyl)acetamide |
Molecular Weight: | 451.5 |
Molecular Formula: | C22 H21 N5 O4 S |
Smiles: | CC(c1cccc(c1)NC(CSC1NC(C(c2cccc(C)c2NC(C)=O)=NN=1)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.5845 |
logD: | 1.5504 |
logSw: | -2.5845 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 103.638 |
InChI Key: | JRKUUZVQOXORDJ-UHFFFAOYSA-N |