Free Chemical Databases
-
[Synonyms]
LS-27102
5-(Methoxymethoxy)-2-(2-(phenylthio)ethoxy)benzamide
Benzamide, 5-(methoxymethoxy)-2-(2-(phenylthio)ethoxy)-
24570-04-5
[Structure]
[ Properties Computed from Structure]
Molecular Weight 333.40206 [g/mol] Molecular Formula C17H19NO4S XLogP 3.2 H-Bond Donor 1 H-Bond Acceptor 4 Rotatable Bond Count 9 Tautomer Count 2 Exact Mass 333.103479 MonoIsotopic Mass 333.103479 Topological Polar Surface Area 70.8 Heavy Atom Count 23 Formal Charge 0 Complexity 350 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 5-(methoxymethoxy)-2-(2-phenylsulfanylethoxy)benzamide
Canonical SMILES: COCOC1=CC(=C(C=C1)OCCSC2=CC=CC=C2)C(=O)N
InChI: InChI=1/C17H19NO4S/c1-20-12-22-13-7-8-16(15(11-13)17(18)19)21-9-10-23-
14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H2,18,19)/f/h18H2
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