N-[2-(6-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzenesulfonamide
Chemical Structure Depiction of
N-[2-(6-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzenesulfonamide
N-[2-(6-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzenesulfonamide
Compound characteristics
| Compound ID: | E551-0086 |
| Compound Name: | N-[2-(6-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzenesulfonamide |
| Molecular Weight: | 477.97 |
| Molecular Formula: | C20 H17 Cl F N5 O2 S2 |
| Smiles: | C(CNS(c1ccccc1)(=O)=O)c1nnc2ccc(nn12)SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 3.7607 |
| logD: | 3.7603 |
| logSw: | -4.1301 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.334 |
| InChI Key: | BCJCMGDJPIIHHN-UHFFFAOYSA-N |