2-{[6-(2-acetamido-3-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[6-(2-acetamido-3-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
2-{[6-(2-acetamido-3-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | J041-0028 |
| Compound Name: | 2-{[6-(2-acetamido-3-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 439.49 |
| Molecular Formula: | C21 H21 N5 O4 S |
| Smiles: | CC(Nc1c(C)cccc1C1C(NC(=NN=1)SCC(Nc1ccc(cc1)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.826 |
| logD: | 1.7918 |
| logSw: | -2.5233 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.355 |
| InChI Key: | QGOMVNABDZINIU-UHFFFAOYSA-N |