Cyclopropaneacetic acid,1-[[[(1R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-, compd. withN-cyclohexylcyclohexanamine (1:1)


Chemical Name: Cyclopropaneacetic acid,1-[[[(1R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-, compd. withN-cyclohexylcyclohexanamine (1:1)
CAS Number: 577953-88-9
Product Number: AG00EFC9(AGN-PC-0SODX3)
Synonyms:
MDL No:
Molecular Formula: C47H59ClN2O3S
Molecular Weight: 767.50096

Identification/Properties


Properties
MP:
65-67°C
Storage:
-10 ℃;
Form:
Liquid
Computed Properties
Molecular Weight:
767.51g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
14
Exact Mass:
766.393g/mol
Monoisotopic Mass:
766.393g/mol
Topological Polar Surface Area:
108A^2
Heavy Atom Count:
54
Formal Charge:
0
Complexity:
1010
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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