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89024-22-6 | Propanamide, 3-(benzoyloxy)-N,2,2-trimethyl-3-(phenylthio)-
CAS No: 89024-22-6 Catalog No: AG0044CE MDL No:
Product Description
Catalog Number:
AG0044CE
Chemical Name:
Propanamide, 3-(benzoyloxy)-N,2,2-trimethyl-3-(phenylthio)-
CAS Number:
89024-22-6
Molecular Formula:
C19H21NO3S
Molecular Weight:
343.4399
IUPAC Name:
[2,2-dimethyl-3-(methylamino)-3-oxo-1-phenylsulfanylpropyl] benzoate
InChI:
InChI=1S/C19H21NO3S/c1-19(2,17(22)20-3)18(24-15-12-8-5-9-13-15)23-16(21)14-10-6-4-7-11-14/h4-13,18H,1-3H3,(H,20,22)
InChI Key:
JQEWOBUJPLXPID-UHFFFAOYSA-N
SMILES:
CNC(=O)C(C(OC(=O)c1ccccc1)Sc1ccccc1)(C)C
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.124g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.441g/mol
Monoisotopic Mass:
343.124g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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