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847924-98-5 | 1,6-Naphthyridin-2(1H)-one, 3-amino-7,8-dihydro-5-phenyl-
CAS No: 847924-98-5 Catalog No: AG004OLQ MDL No:
Product Description
Catalog Number:
AG004OLQ
Chemical Name:
1,6-Naphthyridin-2(1H)-one, 3-amino-7,8-dihydro-5-phenyl-
CAS Number:
847924-98-5
Molecular Formula:
C14H13N3O
Molecular Weight:
239.2725
IUPAC Name:
3-amino-5-phenyl-7,8-dihydro-1H-1,6-naphthyridin-2-one
InChI:
InChI=1S/C14H13N3O/c15-11-8-10-12(17-14(11)18)6-7-16-13(10)9-4-2-1-3-5-9/h1-5,8H,6-7,15H2,(H,17,18)
InChI Key:
YOFCKRNUEZEBMQ-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2CCN=C(c2cc1N)c1ccccc1
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.278g/mol
Monoisotopic Mass:
239.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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