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102052-47-1 | 7H-Pyrido[1,2,3-de]-1,4-benzothiazine-6-carboxylic acid, 9-fluoro-2,3-dihydro-10-(4-methyl-1-piperazinyl)-7-oxo-, hydrobromide (1:1)
CAS No: 102052-47-1 Catalog No: AG0006H6 MDL No:
Product Description
Catalog Number:
AG0006H6
Chemical Name:
7H-Pyrido[1,2,3-de]-1,4-benzothiazine-6-carboxylic acid, 9-fluoro-2,3-dihydro-10-(4-methyl-1-piperazinyl)-7-oxo-, hydrobromide (1:1)
CAS Number:
102052-47-1
Molecular Formula:
C17H19BrFN3O3S
Molecular Weight:
444.3185
IUPAC Name:
7-fluoro-6-(4-methylpiperazin-1-yl)-10-oxo-4-thia-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrobromide
InChI:
InChI=1S/C17H18FN3O3S.BrH/c1-19-2-4-20(5-3-19)14-12(18)8-10-13-16(14)25-7-6-21(13)9-11(15(10)22)17(23)24;/h8-9H,2-7H2,1H3,(H,23,24);1H
InChI Key:
NERCAMBYUALXMZ-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1c(F)cc2c3c1SCCn3cc(c2=O)C(=O)O.Br
Properties
Complexity:
608
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.031g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
444.319g/mol
Monoisotopic Mass:
443.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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