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Home > Bromides > 1001413-88-2
1001413-88-2 | 3-PyridinecarboxaMide, N-[(5-broMo-2-thienyl)Methyl]-1-[(3,4-difluorophenyl)Methyl]-1,2-dihydro-2-oxo-
CAS No: 1001413-88-2 Catalog No: AG00013D MDL No:
Product Description
Catalog Number:
AG00013D
Chemical Name:
3-PyridinecarboxaMide, N-[(5-broMo-2-thienyl)Methyl]-1-[(3,4-difluorophenyl)Methyl]-1,2-dihydro-2-oxo-
CAS Number:
1001413-88-2
Molecular Formula:
C18H13BrF2N2O2S
Molecular Weight:
439.2738
IUPAC Name:
N-[(5-bromothiophen-2-yl)methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
InChI:
InChI=1S/C18H13BrF2N2O2S/c19-16-6-4-12(26-16)9-22-17(24)13-2-1-7-23(18(13)25)10-11-3-5-14(20)15(21)8-11/h1-8H,9-10H2,(H,22,24)
InChI Key:
FIIIPAYZDZZOLR-UHFFFAOYSA-N
SMILES:
Brc1ccc(s1)CNC(=O)c1cccn(c1=O)Cc1ccc(c(c1)F)F
Properties
Complexity:
616
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.985g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
439.275g/mol
Monoisotopic Mass:
437.985g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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