2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
Chemical Structure Depiction of
2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
Compound characteristics
| Compound ID: | E551-0142 |
| Compound Name: | 2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide |
| Molecular Weight: | 524.66 |
| Molecular Formula: | C25 H28 N6 O3 S2 |
| Smiles: | Cc1ccc(cc1)S(NCCc1nnc2ccc(nn12)SCC(Nc1c(C)cc(C)cc1C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5312 |
| logD: | 3.5308 |
| logSw: | -3.6696 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.088 |
| InChI Key: | HPGJIVHMJDOOOS-UHFFFAOYSA-N |