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833491-52-4 | 1-Piperidinecarboxamide, N-(6-methyl-2-benzothiazolyl)-4-oxo-
CAS No: 833491-52-4 Catalog No: AG008HZT MDL No:
Product Description
Catalog Number:
AG008HZT
Chemical Name:
1-Piperidinecarboxamide, N-(6-methyl-2-benzothiazolyl)-4-oxo-
CAS Number:
833491-52-4
Molecular Formula:
C14H15N3O2S
Molecular Weight:
289.3528
IUPAC Name:
N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxopiperidine-1-carboxamide
InChI:
InChI=1S/C14H15N3O2S/c1-9-2-3-11-12(8-9)20-13(15-11)16-14(19)17-6-4-10(18)5-7-17/h2-3,8H,4-7H2,1H3,(H,15,16,19)
InChI Key:
GNHWGVSAWVAUIZ-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1)C(=O)Nc1nc2c(s1)cc(cc2)C
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.088g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.353g/mol
Monoisotopic Mass:
289.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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