2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2-ethyl-6-methylphenyl)acetamide
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-ethyl-6-methylphenyl)acetamide
2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2-ethyl-6-methylphenyl)acetamide
Compound characteristics
| Compound ID: | D509-0060 |
| Compound Name: | 2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2-ethyl-6-methylphenyl)acetamide |
| Molecular Weight: | 465.57 |
| Molecular Formula: | C24 H27 N5 O3 S |
| Smiles: | CCc1cccc(C)c1NC(CSC1NC(C(c2cc(C)cc(C)c2NC(C)=O)=NN=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9033 |
| logD: | 2.8965 |
| logSw: | -3.2062 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.416 |
| InChI Key: | FMISXSWMLOPDLC-UHFFFAOYSA-N |