3-methyl-1-(pyridin-2-yl)-5-{[3-(trifluoromethyl)anilino]methylidene}-1,5,6,7-tetrahydro-4H-indazol-4-one
Chemical Structure Depiction of
3-methyl-1-(pyridin-2-yl)-5-{[3-(trifluoromethyl)anilino]methylidene}-1,5,6,7-tetrahydro-4H-indazol-4-one
3-methyl-1-(pyridin-2-yl)-5-{[3-(trifluoromethyl)anilino]methylidene}-1,5,6,7-tetrahydro-4H-indazol-4-one
Compound characteristics
Compound ID: | 5202-0428 |
Compound Name: | 3-methyl-1-(pyridin-2-yl)-5-{[3-(trifluoromethyl)anilino]methylidene}-1,5,6,7-tetrahydro-4H-indazol-4-one |
Molecular Weight: | 398.39 |
Molecular Formula: | C21 H17 F3 N4 O |
Smiles: | Cc1c2C(C(/CCc2n(c2ccccn2)n1)=C/Nc1cccc(c1)C(F)(F)F)=O |
Stereo: | ACHIRAL |
logP: | 4.1664 |
logD: | 4.1663 |
logSw: | -4.4178 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.549 |
InChI Key: | HLJWGGKLGXPORZ-UHFFFAOYSA-N |