methyl [(3-{2-[(4-methoxybenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(3-{2-[(4-methoxybenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate
methyl [(3-{2-[(4-methoxybenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | E551-0340 |
| Compound Name: | methyl [(3-{2-[(4-methoxybenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate |
| Molecular Weight: | 437.49 |
| Molecular Formula: | C17 H19 N5 O5 S2 |
| Smiles: | COC(CSc1ccc2nnc(CCNS(c3ccc(cc3)OC)(=O)=O)n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.197 |
| logD: | 1.1968 |
| logSw: | -2.3968 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.728 |
| InChI Key: | DKFRVDDNPGPVGW-UHFFFAOYSA-N |