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115550-40-8 | 7H-Pyrido[3,2,1-ij][4,1,2]benzoxadiazine-6-carboxylic acid, 10-(3-amino-1-pyrrolidinyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-
CAS No: 115550-40-8 Catalog No: AG000G5D MDL No:
Product Description
Catalog Number:
AG000G5D
Chemical Name:
7H-Pyrido[3,2,1-ij][4,1,2]benzoxadiazine-6-carboxylic acid, 10-(3-amino-1-pyrrolidinyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-
CAS Number:
115550-40-8
Molecular Formula:
C16H17FN4O4
Molecular Weight:
348.3290
IUPAC Name:
6-(3-aminopyrrolidin-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/C16H17FN4O4/c1-19-7-25-15-12-9(14(22)10(16(23)24)6-21(12)19)4-11(17)13(15)20-3-2-8(18)5-20/h4,6,8H,2-3,5,7,18H2,1H3,(H,23,24)
InChI Key:
CFZLTRSADNLJNG-UHFFFAOYSA-N
SMILES:
NC1CCN(C1)c1c(F)cc2c3c1OCN(n3cc(c2=O)C(=O)O)C
Properties
Complexity:
629
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.123g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
348.334g/mol
Monoisotopic Mass:
348.123g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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