N-(3,4-dimethoxyphenyl)-2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
N-(3,4-dimethoxyphenyl)-2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | E551-0162 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-2-[(3-{2-[(4-methylbenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide |
| Molecular Weight: | 542.64 |
| Molecular Formula: | C24 H26 N6 O5 S2 |
| Smiles: | Cc1ccc(cc1)S(NCCc1nnc2ccc(nn12)SCC(Nc1ccc(c(c1)OC)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5529 |
| logD: | 2.5525 |
| logSw: | -3.048 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.744 |
| InChI Key: | YAIDSJZSCPLLHF-UHFFFAOYSA-N |