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101337-87-5 | 7H-Pyrido[1,2,3-de]-1,4-benzothiazine-6-carboxylic acid, 9-fluoro-2,3-dihydro-7-oxo-10-(1-piperazinyl)-
CAS No: 101337-87-5 Catalog No: AG000499 MDL No:
Product Description
Catalog Number:
AG000499
Chemical Name:
7H-Pyrido[1,2,3-de]-1,4-benzothiazine-6-carboxylic acid, 9-fluoro-2,3-dihydro-7-oxo-10-(1-piperazinyl)-
CAS Number:
101337-87-5
Molecular Formula:
C16H16FN3O3S
Molecular Weight:
349.3799
IUPAC Name:
7-fluoro-10-oxo-6-piperazin-1-yl-4-thia-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
InChI:
InChI=1S/C16H16FN3O3S/c17-11-7-9-12-15(13(11)19-3-1-18-2-4-19)24-6-5-20(12)8-10(14(9)21)16(22)23/h7-8,18H,1-6H2,(H,22,23)
InChI Key:
ZQFJNJCIBHVJMW-UHFFFAOYSA-N
SMILES:
Fc1cc2c3c(c1N1CCNCC1)SCCn3cc(c2=O)C(=O)O
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.09g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
349.38g/mol
Monoisotopic Mass:
349.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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