2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(2-methylphenyl)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-methylphenyl)acetamide
2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | E551-0135 |
| Compound Name: | 2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(2-methylphenyl)acetamide |
| Molecular Weight: | 496.61 |
| Molecular Formula: | C23 H24 N6 O3 S2 |
| Smiles: | Cc1ccc(cc1)S(NCCc1nnc2ccc(nn12)SCC(Nc1ccccc1C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8128 |
| logD: | 2.8124 |
| logSw: | -3.3317 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.786 |
| InChI Key: | MRTHVXYLMJAWCG-UHFFFAOYSA-N |