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115550-48-6 | 7H-Pyrido[3,2,1-ij][4,1,2]benzoxadiazine-6-carboxylic acid, 10-(3,4-dimethyl-1-piperazinyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-
CAS No: 115550-48-6 Catalog No: AG000G5C MDL No:
Product Description
Catalog Number:
AG000G5C
Chemical Name:
7H-Pyrido[3,2,1-ij][4,1,2]benzoxadiazine-6-carboxylic acid, 10-(3,4-dimethyl-1-piperazinyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-
CAS Number:
115550-48-6
Molecular Formula:
C18H21FN4O4
Molecular Weight:
376.3821
IUPAC Name:
6-(3,4-dimethylpiperazin-1-yl)-7-fluoro-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/C18H21FN4O4/c1-10-7-22(5-4-20(10)2)15-13(19)6-11-14-17(15)27-9-21(3)23(14)8-12(16(11)24)18(25)26/h6,8,10H,4-5,7,9H2,1-3H3,(H,25,26)
InChI Key:
MSBXQZNTPFWWLV-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1C)c1c(F)cc2c3c1OCN(n3cc(c2=O)C(=O)O)C
Properties
Complexity:
674
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.155g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.388g/mol
Monoisotopic Mass:
376.155g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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