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115550-37-3 | 7H-Pyrido[3,2,1-ij][4,1,2]benzoxadiazine-6-carboxylic acid, 9-fluoro-2,3-dihydro-3-methyl-10-(3-methyl-1-piperazinyl)-7-oxo-
CAS No: 115550-37-3 Catalog No: AG000G5E MDL No:
Product Description
Catalog Number:
AG000G5E
Chemical Name:
7H-Pyrido[3,2,1-ij][4,1,2]benzoxadiazine-6-carboxylic acid, 9-fluoro-2,3-dihydro-3-methyl-10-(3-methyl-1-piperazinyl)-7-oxo-
CAS Number:
115550-37-3
Molecular Formula:
C17H19FN4O4
Molecular Weight:
362.3556
IUPAC Name:
7-fluoro-2-methyl-6-(3-methylpiperazin-1-yl)-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/C17H19FN4O4/c1-9-6-21(4-3-19-9)14-12(18)5-10-13-16(14)26-8-20(2)22(13)7-11(15(10)23)17(24)25/h5,7,9,19H,3-4,6,8H2,1-2H3,(H,24,25)
InChI Key:
UOCIRKABPNGDBA-UHFFFAOYSA-N
SMILES:
CC1NCCN(C1)c1c(F)cc2c3c1OCN(n3cc(c2=O)C(=O)O)C
Properties
Complexity:
644
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.139g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
362.361g/mol
Monoisotopic Mass:
362.139g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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