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Velneperit

CAS No.:
342577-38-2
Catalog Number:
AG00C6K8
Molecular Formula:
C17H24F3N3O3S
Molecular Weight:
407.4510
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Product Description
Catalog Number:
AG00C6K8
Chemical Name:
Velneperit
CAS Number:
342577-38-2
Molecular Formula:
C17H24F3N3O3S
Molecular Weight:
407.4510
MDL Number:
MFCD11973642
IUPAC Name:
4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)pyridin-2-yl]cyclohexane-1-carboxamide
InChI:
InChI=1S/C17H24F3N3O3S/c1-16(2,3)27(25,26)23-13-7-4-11(5-8-13)15(24)22-14-9-6-12(10-21-14)17(18,19)20/h6,9-11,13,23H,4-5,7-8H2,1-3H3,(H,21,22,24)
InChI Key:
WGEWUYACXPEFPO-UHFFFAOYSA-N
SMILES:
O=C([C@@H]1CC[C@H](CC1)NS(=O)(=O)C(C)(C)C)Nc1ccc(cn1)C(F)(F)F
UNII:
09BQ2KJ22J
Properties
Complexity:
618  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.149g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
407.452g/mol
Monoisotopic Mass:
407.149g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Identification of a novel and orally available benzimidazole derivative as an NPY Y5 receptor antagonist with in vivo efficacy. Bioorganic & medicinal chemistry letters 20121101
Discovery and evaluation of spirocyclic derivatives as antagonists of the neuropeptide Y5 receptor. Bioorganic & medicinal chemistry letters 20120415
Properties