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917748-53-9 | 4-tert-Butyl-n-(4-oxo-4h-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CAS No: 917748-53-9 Catalog No: AG00IGVB MDL No:
Product Description
Catalog Number:
AG00IGVB
Chemical Name:
4-tert-Butyl-n-(4-oxo-4h-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CAS Number:
917748-53-9
Molecular Formula:
C19H19N3O2
Molecular Weight:
321.3731
IUPAC Name:
4-tert-butyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
InChI:
InChI=1S/C19H19N3O2/c1-19(2,3)14-9-7-13(8-10-14)17(23)21-15-12-20-16-6-4-5-11-22(16)18(15)24/h4-12H,1-3H3,(H,21,23)
InChI Key:
WAPCILSYIRCEEJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(C)(C)C)Nc1cnc2n(c1=O)cccc2
Properties
Complexity:
657
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.148g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.38g/mol
Monoisotopic Mass:
321.148g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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