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155905-39-8 | 7H-Pyrido[1,2,3-de]-1,4-benzothiazine-6-carboxylic acid, 10-(2,6-dimethyl-4-pyridinyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, (3R)-
CAS No: 155905-39-8 Catalog No: AG001OCD MDL No:
Product Description
Catalog Number:
AG001OCD
Chemical Name:
7H-Pyrido[1,2,3-de]-1,4-benzothiazine-6-carboxylic acid, 10-(2,6-dimethyl-4-pyridinyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, (3R)-
CAS Number:
155905-39-8
Molecular Formula:
C20H17FN2O3S
Molecular Weight:
384.4240
IUPAC Name:
(2R)-6-(2,6-dimethylpyridin-4-yl)-7-fluoro-2-methyl-10-oxo-4-thia-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
InChI:
InChI=1S/C20H17FN2O3S/c1-9-4-12(5-10(2)22-9)16-15(21)6-13-17-19(16)27-8-11(3)23(17)7-14(18(13)24)20(25)26/h4-7,11H,8H2,1-3H3,(H,25,26)/t11-/m1/s1
InChI Key:
DNYDAUUCCWZVJY-LLVKDONJSA-N
SMILES:
Cc1nc(C)cc(c1)c1c(F)cc2c3c1SC[C@H](n3cc(c2=O)C(=O)O)C
Properties
Complexity:
662
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
384.094g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
384.425g/mol
Monoisotopic Mass:
384.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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