AC1LYN0A

methyl (E)-3-[(Z)-cyano-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)methyl]sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate

Also Known As: (E)-methyl 3-(((Z)-cyano(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)methyl)thio)-3-fluoro-2-(trifluoromethyl)acrylate|methyl (2E)-3-{[(Z)-cyano(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)methyl]sulfanyl}-3-fluoro-2-(trifluoromethyl)prop-2-enoate|methyl (E)-3-[(Z)-cyano-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)methyl]sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate

Molecular Formula	C18H16F4N2O2S
Molecular Weight	400.08685 g/mol
LogP	4.45268
Topological Polar Surface Area	62.12 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	400.08685
Monoisotopic Mass	400.08685
Heavy Atoms	27
Complexity	866.84796

Chemical Identifiers

CAS Number	836629-82-4
SMILES	CC1(CC2=CC=CC=C2/C(=C(\C#N)/S/C(=C(\C(=O)OC)/C(F)(F)F)/F)/N1)C