2-{[6-(2-acetamido-3-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-ethylphenyl)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-ethylphenyl)acetamide
2-{[6-(2-acetamido-3-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-ethylphenyl)acetamide
Compound characteristics
| Compound ID: | J041-0041 |
| Compound Name: | 2-{[6-(2-acetamido-3-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-ethylphenyl)acetamide |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C22 H23 N5 O3 S |
| Smiles: | CCc1cccc(c1)NC(CSC1NC(C(c2cccc(C)c2NC(C)=O)=NN=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6341 |
| logD: | 2.5999 |
| logSw: | -3.0319 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.811 |
| InChI Key: | NHYTYKDUQYDOKK-UHFFFAOYSA-N |