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834889-20-2 | Benzo[h]-1,6-naphthyridine-2,5(1H,6H)-dione, 3-benzoyl-4-phenyl-
CAS No: 834889-20-2 Catalog No: AG008JEN MDL No:
Product Description
Catalog Number:
AG008JEN
Chemical Name:
Benzo[h]-1,6-naphthyridine-2,5(1H,6H)-dione, 3-benzoyl-4-phenyl-
CAS Number:
834889-20-2
Molecular Formula:
C25H16N2O3
Molecular Weight:
392.4061
IUPAC Name:
3-benzoyl-4-phenyl-1,6-dihydrobenzo[h][1,6]naphthyridine-2,5-dione
InChI:
InChI=1S/C25H16N2O3/c28-23(16-11-5-2-6-12-16)21-19(15-9-3-1-4-10-15)20-22(27-25(21)30)17-13-7-8-14-18(17)26-24(20)29/h1-14H,(H,26,29)(H,27,30)
InChI Key:
VKRBPZMVLMCSGY-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c(c(c1C(=O)c1ccccc1)c1ccccc1)c(=O)[nH]c1c2cccc1
Properties
Complexity:
812
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.116g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
392.414g/mol
Monoisotopic Mass:
392.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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