N-[(2H-1,3-benzodioxol-5-yl)methyl]-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-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-{2-[(4-methoxybenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-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: | E551-0302 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-{2-[(4-methoxybenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide |
| Molecular Weight: | 556.62 |
| Molecular Formula: | C24 H24 N6 O6 S2 |
| Smiles: | COc1ccc(cc1)S(NCCc1nnc2ccc(nn12)SCC(NCc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1714 |
| logD: | 2.1712 |
| logSw: | -2.9355 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 123.465 |
| InChI Key: | NCVFDYJHPHZWLY-UHFFFAOYSA-N |