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178408-09-8 | Pentanamide, N-[(4-methoxyphenyl)thioxomethyl]-4,4-dimethyl-3-oxo-
CAS No: 178408-09-8 Catalog No: AG0025ZZ MDL No:
Product Description
Catalog Number:
AG0025ZZ
Chemical Name:
Pentanamide, N-[(4-methoxyphenyl)thioxomethyl]-4,4-dimethyl-3-oxo-
CAS Number:
178408-09-8
Molecular Formula:
C15H19NO3S
Molecular Weight:
293.3813
IUPAC Name:
N-(4-methoxybenzenecarbothioyl)-4,4-dimethyl-3-oxopentanamide
InChI:
InChI=1S/C15H19NO3S/c1-15(2,3)12(17)9-13(18)16-14(20)10-5-7-11(19-4)8-6-10/h5-8H,9H2,1-4H3,(H,16,18,20)
InChI Key:
IGAWIDZFXQOOJL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=S)NC(=O)CC(=O)C(C)(C)C
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.109g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.381g/mol
Monoisotopic Mass:
293.109g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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