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89208-12-8 | Isothiazolo[5,4-b]pyridine-2(3H)-carboxamide, 3-oxo-N-phenyl-
CAS No: 89208-12-8 Catalog No: AG004649 MDL No:
Product Description
Catalog Number:
AG004649
Chemical Name:
Isothiazolo[5,4-b]pyridine-2(3H)-carboxamide, 3-oxo-N-phenyl-
CAS Number:
89208-12-8
Molecular Formula:
C13H9N3O2S
Molecular Weight:
271.2945
IUPAC Name:
3-oxo-N-phenyl-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
InChI:
InChI=1S/C13H9N3O2S/c17-12-10-7-4-8-14-11(10)19-16(12)13(18)15-9-5-2-1-3-6-9/h1-8H,(H,15,18)
InChI Key:
PFRNQAIRESTOKX-UHFFFAOYSA-N
SMILES:
O=C(n1sc2c(c1=O)cccn2)Nc1ccccc1
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.042g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.294g/mol
Monoisotopic Mass:
271.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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