2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)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-(3-chloro-4-methoxyphenyl)acetamide
2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | D509-0027 |
| Compound Name: | 2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide |
| Molecular Weight: | 487.96 |
| Molecular Formula: | C22 H22 Cl N5 O4 S |
| Smiles: | CC(Nc1c(C)cc(C)cc1C1C(NC(=NN=1)SCC(Nc1ccc(c(c1)[Cl])OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7452 |
| logD: | 2.7384 |
| logSw: | -3.5053 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.442 |
| InChI Key: | LOXRKMPWVSBMQF-UHFFFAOYSA-N |