2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(2-phenylethyl)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-phenylethyl)acetamide
2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | E551-0187 |
| Compound Name: | 2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(2-phenylethyl)acetamide |
| Molecular Weight: | 510.64 |
| Molecular Formula: | C24 H26 N6 O3 S2 |
| Smiles: | Cc1ccc(cc1)S(NCCc1nnc2ccc(nn12)SCC(NCCc1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.474 |
| logD: | 2.4736 |
| logSw: | -2.8139 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.647 |
| InChI Key: | QYMBRQCDUOJJIP-UHFFFAOYSA-N |