4-methoxy-N-{2-[6-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}benzene-1-sulfonamide
Chemical Structure Depiction of
4-methoxy-N-{2-[6-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}benzene-1-sulfonamide
4-methoxy-N-{2-[6-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | E551-0330 |
| Compound Name: | 4-methoxy-N-{2-[6-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}benzene-1-sulfonamide |
| Molecular Weight: | 523.55 |
| Molecular Formula: | C22 H20 F3 N5 O3 S2 |
| Smiles: | COc1ccc(cc1)S(NCCc1nnc2ccc(nn12)SCc1ccc(cc1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7742 |
| logD: | 3.7741 |
| logSw: | -4.0649 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.878 |
| InChI Key: | SDOJKBIYNSFCBJ-UHFFFAOYSA-N |