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124338-73-4 | 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 10-(4-ethyl-1-piperazinyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-
CAS No: 124338-73-4 Catalog No: AG000LW1 MDL No:
Product Description
Catalog Number:
AG000LW1
Chemical Name:
7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 10-(4-ethyl-1-piperazinyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-
CAS Number:
124338-73-4
Molecular Formula:
C19H22FN3O4
Molecular Weight:
375.3941
IUPAC Name:
6-(4-ethylpiperazin-1-yl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
InChI:
InChI=1S/C19H22FN3O4/c1-3-21-4-6-22(7-5-21)16-14(20)8-12-15-18(16)27-10-11(2)23(15)9-13(17(12)24)19(25)26/h8-9,11H,3-7,10H2,1-2H3,(H,25,26)
InChI Key:
JFUHXTFZSVKCSK-UHFFFAOYSA-N
SMILES:
CCN1CCN(CC1)c1c(F)cc2c3c1OCC(n3cc(c2=O)C(=O)O)C
Properties
Complexity:
649
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.159g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
375.4g/mol
Monoisotopic Mass:
375.159g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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