N-{2-[6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}benzenesulfonamide
Chemical Structure Depiction of
N-{2-[6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}benzenesulfonamide
N-{2-[6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}benzenesulfonamide
Compound characteristics
| Compound ID: | E551-0091 |
| Compound Name: | N-{2-[6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}benzenesulfonamide |
| Molecular Weight: | 493.53 |
| Molecular Formula: | C21 H18 F3 N5 O2 S2 |
| Smiles: | C(CNS(c1ccccc1)(=O)=O)c1nnc2ccc(nn12)SCc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.7684 |
| logD: | 3.768 |
| logSw: | -4.1551 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.334 |
| InChI Key: | FJQFKFDNABMNSL-UHFFFAOYSA-N |