sodium;3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoate;hydrate


Chemical Name: sodium;3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoate;hydrate
CAS Number: 118427-55-7
Product Number: AG0076D5(AGN-PC-047EZN)
Synonyms:
MDL No:
Molecular Formula: C27H33ClNNaO2S
Molecular Weight: 494.0642

Identification/Properties


Computed Properties
Molecular Weight:
494.066g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
8
Exact Mass:
493.182g/mol
Monoisotopic Mass:
493.182g/mol
Topological Polar Surface Area:
70.4A^2
Heavy Atom Count:
33
Formal Charge:
0
Complexity:
645
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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