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115550-53-3 | 7H-Pyrido[3,2,1-ij][4,1,2]benzoxadiazine-6-carboxylic acid, 9-fluoro-2,3-dihydro-10-(1H-imidazol-1-yl)-3-methyl-7-oxo-
CAS No: 115550-53-3 Catalog No: AG000G5B MDL No:
Product Description
Catalog Number:
AG000G5B
Chemical Name:
7H-Pyrido[3,2,1-ij][4,1,2]benzoxadiazine-6-carboxylic acid, 9-fluoro-2,3-dihydro-10-(1H-imidazol-1-yl)-3-methyl-7-oxo-
CAS Number:
115550-53-3
Molecular Formula:
C15H11FN4O4
Molecular Weight:
330.2706
IUPAC Name:
7-fluoro-6-imidazol-1-yl-2-methyl-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
InChI:
InChI=1S/C15H11FN4O4/c1-18-7-24-14-11-8(13(21)9(15(22)23)5-20(11)18)4-10(16)12(14)19-3-2-17-6-19/h2-6H,7H2,1H3,(H,22,23)
InChI Key:
YPHHQALAFITPGF-UHFFFAOYSA-N
SMILES:
Fc1cc2c3c(c1n1cncc1)OCN(n3cc(c2=O)C(=O)O)C
Properties
Complexity:
600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.076g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.275g/mol
Monoisotopic Mass:
330.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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