propyl 6-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propylpyridine-3-carboxylate


Chemical Name: propyl 6-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propylpyridine-3-carboxylate
CAS Number: 212329-37-8
Product Number: AG00BJYC(AGN-PC-0KY6AA)
Synonyms:
MDL No: MFCD03787977
Molecular Formula: C23H29NO3S
Molecular Weight: 399.5463

Identification/Properties


Computed Properties
Molecular Weight:
399.549g/mol
XLogP3:
6.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
11
Exact Mass:
399.187g/mol
Monoisotopic Mass:
399.187g/mol
Topological Polar Surface Area:
81.6A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
492
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:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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