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89208-10-6 | Isothiazolo[5,4-b]pyridine-2(3H)-carboxamide, N-nonyl-3-oxo-
CAS No: 89208-10-6 Catalog No: AG00464A MDL No:
Product Description
Catalog Number:
AG00464A
Chemical Name:
Isothiazolo[5,4-b]pyridine-2(3H)-carboxamide, N-nonyl-3-oxo-
CAS Number:
89208-10-6
Molecular Formula:
C16H23N3O2S
Molecular Weight:
321.4377
IUPAC Name:
N-nonyl-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
InChI:
InChI=1S/C16H23N3O2S/c1-2-3-4-5-6-7-8-11-18-16(21)19-15(20)13-10-9-12-17-14(13)22-19/h9-10,12H,2-8,11H2,1H3,(H,18,21)
InChI Key:
ZFCGRXSZBNELPF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCNC(=O)n1sc2c(c1=O)cccn2
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.151g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.439g/mol
Monoisotopic Mass:
321.151g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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