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1146395-46-1 | Benzeneacetamide, 4-(3-methyl-2-pyrazinyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-
CAS No: 1146395-46-1 Catalog No: AG000EWC MDL No:
Product Description
Catalog Number:
AG000EWC
Chemical Name:
Benzeneacetamide, 4-(3-methyl-2-pyrazinyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-
CAS Number:
1146395-46-1
Molecular Formula:
C22H21F3N4O2
Molecular Weight:
430.4229
IUPAC Name:
2-[4-(3-methylpyrazin-2-yl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
InChI:
InChI=1S/C22H21F3N4O2/c1-14(19-8-7-18(12-28-19)31-13-22(23,24)25)29-20(30)11-16-3-5-17(6-4-16)21-15(2)26-9-10-27-21/h3-10,12,14H,11,13H2,1-2H3,(H,29,30)/t14-/m1/s1
InChI Key:
OURCOVUGQRXRTE-CQSZACIVSA-N
SMILES:
O=C(N[C@@H](c1ccc(cn1)OCC(F)(F)F)C)Cc1ccc(cc1)c1nccnc1C
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
430.162g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
430.431g/mol
Monoisotopic Mass:
430.162g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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