Name: Name:N-[3，5-Bis(trifluoromethyl)phenyl]-N'-[(8α，9S)-10，11-dihydro-6'-methoxycinchonan-9-yl]thiourea
Brand: Angene
SKU: AG00GABC
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N-[3，5-Bis(trifluoromethyl)phenyl]-N'-[(8α，9S)-10，11-dihydro-6'-methoxycinchonan-9-yl]thiourea

CAS No.:

852913-19-0

Catalog Number:

AG00GABC

Molecular Formula:

Molecular Weight:

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Product Description

Catalog Number:

AG00GABC

Chemical Name:

N-[3，5-Bis(trifluoromethyl)phenyl]-N'-[(8α，9S)-10，11-dihydro-6'-methoxycinchonan-9-yl]thiourea

CAS Number:

852913-19-0

MDL Number:

MFCD16875669

IUPAC Name:

1-[3,5-bis(trifluoromethyl)phenyl]-3-[(S)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl]thiourea

InChI:

InChI=1S/C29H30F6N4OS/c1-3-16-15-39-9-7-17(16)10-25(39)26(22-6-8-36-24-5-4-21(40-2)14-23(22)24)38-27(41)37-20-12-18(28(30,31)32)11-19(13-20)29(33,34)35/h4-6,8,11-14,16-17,25-26H,3,7,9-10,15H2,1-2H3,(H2,37,38,41)/t16-,17-,25-,26-/m0/s1

InChI Key:

KBYUJTLQXUVPQI-FRSFCCSCSA-N

Properties

Complexity:

884

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

596.204g/mol

Formal Charge:

Heavy Atom Count:

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Isotope Atom Count:

Molecular Weight:

596.636g/mol

Monoisotopic Mass:

596.204g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.8

Literature

Title	Journal
Construction of bispirooxindoles containing three quaternary stereocentres in a cascade using a single multifunctional organocatalyst.	Nature chemistry 20110601
Synergistic organocatalysis in the kinetic resolution of secondary thiols with concomitant desymmetrization of an anhydride.	Nature chemistry 20100501