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89208-09-3 | Isothiazolo[5,4-b]pyridine-2(3H)-carboxamide, N-heptyl-3-oxo-
CAS No: 89208-09-3 Catalog No: AG00445Q MDL No:
Product Description
Catalog Number:
AG00445Q
Chemical Name:
Isothiazolo[5,4-b]pyridine-2(3H)-carboxamide, N-heptyl-3-oxo-
CAS Number:
89208-09-3
Molecular Formula:
C14H19N3O2S
Molecular Weight:
293.3846
IUPAC Name:
N-heptyl-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
InChI:
InChI=1S/C14H19N3O2S/c1-2-3-4-5-6-9-16-14(19)17-13(18)11-8-7-10-15-12(11)20-17/h7-8,10H,2-6,9H2,1H3,(H,16,19)
InChI Key:
FBEUDMYKEZSTKF-UHFFFAOYSA-N
SMILES:
CCCCCCCNC(=O)n1sc2c(c1=O)cccn2
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.12g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.385g/mol
Monoisotopic Mass:
293.12g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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