2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2-chloro-6-methylphenyl)propanamide
Chemical Structure Depiction of
2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2-chloro-6-methylphenyl)propanamide
2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2-chloro-6-methylphenyl)propanamide
Compound characteristics
| Compound ID: | D509-0086 |
| Compound Name: | 2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2-chloro-6-methylphenyl)propanamide |
| Molecular Weight: | 485.99 |
| Molecular Formula: | C23 H24 Cl N5 O3 S |
| Smiles: | CC(C(Nc1c(C)cccc1[Cl])=O)SC1NC(C(c2cc(C)cc(C)c2NC(C)=O)=NN=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6778 |
| logD: | 3.6751 |
| logSw: | -4.0473 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.629 |
| InChI Key: | XAOIIUQVVGFYRT-AWEZNQCLSA-N |