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ZINC00935610 (2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylphenoxy)propan

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摘 要:ZINC00935610 (2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylphenoxy)propanamide,Canonical SMILES: CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)OC3=CC=C(C=C3)C4=CC=CC=C4,Isomeric SMILES: C[C@@H](C(=O)NC1=CC=C(C=C1)N2CCOCC2)OC3=CC=C(C=C3)C4=CC=CC=C4,InChI: InChI=1/C25H2
[Synonyms]
ZINC00935610
[Structure]
ZINC00935610 (2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylphenoxy)propan

[ Properties Computed from Structure]
Molecular Weight402.48554 [g/mol]
Molecular FormulaC25H26N2O3
XLogP5
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count6
Tautomer Count2
Exact Mass402.194343
MonoIsotopic Mass402.194343
Topological Polar Surface Area50.8
Heavy Atom Count30
Formal Charge0
Complexity515
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: (2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylphenoxy)propanamide
Canonical SMILES: CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)OC3=CC=C(C=C3)C4=CC=CC=C4
Isomeric SMILES: C[C@@H](C(=O)NC1=CC=C(C=C1)N2CCOCC2)OC3=CC=C(C=C3)C4=CC=CC=C4
InChI: InChI=1/C25H26N2O3/c1-19(30-24-13-7-21(8-14-24)20-5-3-2-4-6-20)25(28)26-
22-9-11-23(12-10-22)27-15-17-29-18-16-27/h2-14,19H,15-18H2,1H3,(H,26,
28)/t19-/m0/s1/f/h26H

 
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