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Home > Pyridines > 125055-58-5
125055-58-5 | 4H-Pyrido[1,2-a]pyrimidine-3-carboxamide, N-heptyl-6-methyl-4-oxo-
CAS No: 125055-58-5 Catalog No: AG000N1Z MDL No:
Product Description
Catalog Number:
AG000N1Z
Chemical Name:
4H-Pyrido[1,2-a]pyrimidine-3-carboxamide, N-heptyl-6-methyl-4-oxo-
CAS Number:
125055-58-5
Molecular Formula:
C17H23N3O2
Molecular Weight:
301.3834
IUPAC Name:
N-heptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
InChI:
InChI=1S/C17H23N3O2/c1-3-4-5-6-7-11-18-16(21)14-12-19-15-10-8-9-13(2)20(15)17(14)22/h8-10,12H,3-7,11H2,1-2H3,(H,18,21)
InChI Key:
RVQRTCFHAKPSMO-UHFFFAOYSA-N
SMILES:
CCCCCCCNC(=O)c1cnc2n(c1=O)c(C)ccc2
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.179g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.39g/mol
Monoisotopic Mass:
301.179g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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