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89208-07-1 | Isothiazolo[5,4-b]pyridine-2(3H)-carboxamide, N-butyl-3-oxo-
CAS No: 89208-07-1 Catalog No: AG00445S MDL No:
Product Description
Catalog Number:
AG00445S
Chemical Name:
Isothiazolo[5,4-b]pyridine-2(3H)-carboxamide, N-butyl-3-oxo-
CAS Number:
89208-07-1
Molecular Formula:
C11H13N3O2S
Molecular Weight:
251.3048
IUPAC Name:
N-butyl-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
InChI:
InChI=1S/C11H13N3O2S/c1-2-3-6-13-11(16)14-10(15)8-5-4-7-12-9(8)17-14/h4-5,7H,2-3,6H2,1H3,(H,13,16)
InChI Key:
DJFNAMQRBOEIBY-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)n1sc2c(c1=O)cccn2
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.304g/mol
Monoisotopic Mass:
251.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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