methyl 4-(2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | D509-0040 |
| Compound Name: | methyl 4-(2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 481.53 |
| Molecular Formula: | C23 H23 N5 O5 S |
| Smiles: | CC(Nc1c(C)cc(C)cc1C1C(NC(=NN=1)SCC(Nc1ccc(cc1)C(=O)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3253 |
| logD: | 2.3186 |
| logSw: | -2.8764 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 110.985 |
| InChI Key: | OCHTVZQMMGZEKO-UHFFFAOYSA-N |