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Home > Quinoline > 827322-21-4
827322-21-4 | Oxazolo[4,5-g]quinoline-4,9-dione, 8-phenyl-2-(phenylmethyl)-, 5-oxide
CAS No: 827322-21-4 Catalog No: AG005872 MDL No:
Product Description
Catalog Number:
AG005872
Chemical Name:
Oxazolo[4,5-g]quinoline-4,9-dione, 8-phenyl-2-(phenylmethyl)-, 5-oxide
CAS Number:
827322-21-4
Molecular Formula:
C23H14N2O4
Molecular Weight:
382.3683
IUPAC Name:
2-benzyl-5-oxido-8-phenyl-[1,3]oxazolo[4,5-g]quinolin-5-ium-4,9-dione
InChI:
InChI=1S/C23H14N2O4/c26-21-18-16(15-9-5-2-6-10-15)11-12-25(28)20(18)22(27)23-19(21)24-17(29-23)13-14-7-3-1-4-8-14/h1-12H,13H2
InChI Key:
FITCJRFLJUDYAW-UHFFFAOYSA-N
SMILES:
O=C1c2nc(oc2C(=O)c2c1c(cc[n+]2[O-])c1ccccc1)Cc1ccccc1
Properties
Complexity:
628
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.095g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.375g/mol
Monoisotopic Mass:
382.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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