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92491-27-5 | N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CAS No: 92491-27-5 Catalog No: AG00IX5V MDL No:MFCD00169991
Product Description
Catalog Number:
AG00IX5V
Chemical Name:
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CAS Number:
92491-27-5
Molecular Formula:
C11H14N2O2S
Molecular Weight:
238.3061
MDL Number:
MFCD00169991
IUPAC Name:
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)acetamide
InChI:
InChI=1S/C11H14N2O2S/c1-6(14)12-10-13-7-4-11(2,3)5-8(15)9(7)16-10/h4-5H2,1-3H3,(H,12,13,14)
InChI Key:
ALMUQWSPQNFSLB-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1nc2c(s1)C(=O)CC(C2)(C)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.078g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.305g/mol
Monoisotopic Mass:
238.078g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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