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ZINC00934658 (2R)-2-(3-bromophenoxy)-N-(4-ethoxyphenyl)propanamide,Can

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摘 要:ZINC00934658 (2R)-2-(3-bromophenoxy)-N-(4-ethoxyphenyl)propanamide,Canonical SMILES: CCOC1=CC=C(C=C1)NC(=O)C(C)OC2=CC(=CC=C2)Br,Isomeric SMILES: CCOC1=CC=C(C=C1)NC(=O)[C@@H](C)OC2=CC(=CC=C2)Br,InChI: InChI=1/C17H18BrNO3/c1-3-21-15-9-7-14(8-10-15)19-1
[Synonyms]
ZINC00934658
[Structure]
ZINC00934658 (2R)-2-(3-bromophenoxy)-N-(4-ethoxyphenyl)propanamide,Can

[ Properties Computed from Structure]
Molecular Weight364.23372 [g/mol]
Molecular FormulaC17H18BrNO3
XLogP4.3
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count6
Tautomer Count2
Exact Mass363.047006
MonoIsotopic Mass363.047006
Topological Polar Surface Area47.6
Heavy Atom Count22
Formal Charge0
Complexity345
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (2R)-2-(3-bromophenoxy)-N-(4-ethoxyphenyl)propanamide
Canonical SMILES: CCOC1=CC=C(C=C1)NC(=O)C(C)OC2=CC(=CC=C2)Br
Isomeric SMILES: CCOC1=CC=C(C=C1)NC(=O)[C@@H](C)OC2=CC(=CC=C2)Br
InChI: InChI=1/C17H18BrNO3/c1-3-21-15-9-7-14(8-10-15)19-17(20)12(2)22-16-6-4-5-
13(18)11-16/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m1/s1/f/h19H

 
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