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115550-77-1 | 7H-Pyrido[3,2,1-ij][4,1,2]benzoxadiazine-6-carboxylic acid, 9-fluoro-10-(hexahydro-1H-1,4-diazepin-1-yl)-2,3-dihydro-3-methyl-7-oxo-
CAS No: 115550-77-1 Catalog No: AG000G5A MDL No:
Product Description
Catalog Number:
AG000G5A
Chemical Name:
7H-Pyrido[3,2,1-ij][4,1,2]benzoxadiazine-6-carboxylic acid, 9-fluoro-10-(hexahydro-1H-1,4-diazepin-1-yl)-2,3-dihydro-3-methyl-7-oxo-
CAS Number:
115550-77-1
Molecular Formula:
C17H19FN4O4
Molecular Weight:
362.3556
IUPAC Name:
6-(1,4-diazepan-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/C17H19FN4O4/c1-20-9-26-16-13-10(15(23)11(17(24)25)8-22(13)20)7-12(18)14(16)21-5-2-3-19-4-6-21/h7-8,19H,2-6,9H2,1H3,(H,24,25)
InChI Key:
KRSHRHCJQKHKJM-UHFFFAOYSA-N
SMILES:
Fc1cc2c(=O)c(cn3c2c(c1N1CCNCCC1)OCN3C)C(=O)O
Properties
Complexity:
630
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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