2-(methylsulfanyl)-7-[4-(trifluoromethoxy)phenyl]pyrido[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6(7H)-one
Chemical Structure Depiction of
2-(methylsulfanyl)-7-[4-(trifluoromethoxy)phenyl]pyrido[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6(7H)-one
2-(methylsulfanyl)-7-[4-(trifluoromethoxy)phenyl]pyrido[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6(7H)-one
Compound characteristics
| Compound ID: | Y020-9584 |
| Compound Name: | 2-(methylsulfanyl)-7-[4-(trifluoromethoxy)phenyl]pyrido[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6(7H)-one |
| Molecular Weight: | 394.33 |
| Molecular Formula: | C15 H9 F3 N6 O2 S |
| Smiles: | CSc1nc2N=NC3=C(C=CN(C3=O)c3ccc(cc3)OC(F)(F)F)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9244 |
| logD: | 3.9244 |
| logSw: | -4.0778 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.767 |
| InChI Key: | IUDWCGSQYHQBDK-UHFFFAOYSA-N |