S-(4-hydroxy-7,7-diphenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl) benzenecarbothioate
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S-(4-hydroxy-7,7-diphenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl) benzenecarbothioate
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CAS No:
146772-46-5
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Formula:
C27H27NO2S
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Chemical Name:
S-(4-hydroxy-7,7-diphenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl) benzenecarbothioate
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CAS No:
S-(4-hydroxy-7,7-diphenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl) benzenecarbothioate Basic Attributes
429.57400
429.17625028
Computed Properties
Molecular Weight:429.6
XLogP3:5.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:429.17625028
Monoisotopic Mass:429.17625028
Topological Polar Surface Area:65.8
Heavy Atom Count:31
Complexity:588
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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