methyl (E)-3-[(Z)-cyano-(6,7-dimethylspiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-ylidene)methyl]sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate
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methyl (E)-3-[(Z)-cyano-(6,7-dimethylspiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-ylidene)methyl]sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate
structure -
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CAS No:
799831-43-9
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Formula:
C23H24F4N2O2S
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Chemical Name:
methyl (E)-3-[(Z)-cyano-(6,7-dimethylspiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-ylidene)methyl]sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate
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Synonyms:
C23H24F4N2O2S;STK998122;ZINC31911798;AKOS022092967;799831-43-9;methyl (2E)-3-{[(Z)-cyano(6',7'-dimethyl-2'H-spiro[cyclohexane-1,3'-isoquinolin]-1'(4'H)-ylidene)methyl]sulfanyl}-3-fluoro-2-(trifluoromethyl)prop-2-enoate
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CAS No:
methyl (E)-3-[(Z)-cyano-(6,7-dimethylspiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-ylidene)methyl]sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate Basic Attributes
468.5 g/mol
468.14946183 g/mol
Computed Properties
Molecular Weight:468.5
XLogP3:6.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:468.14946183
Monoisotopic Mass:468.14946183
Topological Polar Surface Area:87.4
Heavy Atom Count:32
Complexity:852
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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