N-[2-(6-{[(3-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzenesulfonamide
Chemical Structure Depiction of
N-[2-(6-{[(3-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzenesulfonamide
N-[2-(6-{[(3-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzenesulfonamide
Compound characteristics
| Compound ID: | E551-0099 |
| Compound Name: | N-[2-(6-{[(3-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzenesulfonamide |
| Molecular Weight: | 470.53 |
| Molecular Formula: | C20 H18 N6 O4 S2 |
| Smiles: | C(CNS(c1ccccc1)(=O)=O)c1nnc2ccc(nn12)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8738 |
| logD: | 2.8734 |
| logSw: | -3.5548 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.716 |
| InChI Key: | CSXTZLBYZGZUGH-UHFFFAOYSA-N |