2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(3-nitrophenyl)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-(3-nitrophenyl)acetamide
2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | E551-0170 |
| Compound Name: | 2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(3-nitrophenyl)acetamide |
| Molecular Weight: | 527.58 |
| Molecular Formula: | C22 H21 N7 O5 S2 |
| Smiles: | Cc1ccc(cc1)S(NCCc1nnc2ccc(nn12)SCC(Nc1cccc(c1)[N+]([O-])=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0858 |
| logD: | 3.0849 |
| logSw: | -3.5364 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 130.865 |
| InChI Key: | KGJYDFAMUCRHKP-UHFFFAOYSA-N |