4-methyl-N-[2-(6-{[(3-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzene-1-sulfonamide
Chemical Structure Depiction of
4-methyl-N-[2-(6-{[(3-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzene-1-sulfonamide
4-methyl-N-[2-(6-{[(3-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | E551-0218 |
| Compound Name: | 4-methyl-N-[2-(6-{[(3-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzene-1-sulfonamide |
| Molecular Weight: | 484.55 |
| Molecular Formula: | C21 H20 N6 O4 S2 |
| Smiles: | Cc1ccc(cc1)S(NCCc1nnc2ccc(nn12)SCc1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4822 |
| logD: | 3.4818 |
| logSw: | -3.8587 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.716 |
| InChI Key: | FXVSCLNDJRFTLL-UHFFFAOYSA-N |