N-(2,4-dimethoxyphenyl)-2-[(3-{2-[(4-methoxybenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2,4-dimethoxyphenyl)-2-[(3-{2-[(4-methoxybenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
N-(2,4-dimethoxyphenyl)-2-[(3-{2-[(4-methoxybenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | E551-0279 |
| Compound Name: | N-(2,4-dimethoxyphenyl)-2-[(3-{2-[(4-methoxybenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide |
| Molecular Weight: | 558.63 |
| Molecular Formula: | C24 H26 N6 O6 S2 |
| Smiles: | COc1ccc(cc1)S(NCCc1nnc2ccc(nn12)SCC(Nc1ccc(cc1OC)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3222 |
| logD: | 2.322 |
| logSw: | -3.0467 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 119.504 |
| InChI Key: | KMEYCLMBZIFGNL-UHFFFAOYSA-N |