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MLS001006317,SMR000384314,T5334283, N-(4-chloro-2-methoxy-5-methylphen

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摘 要:MLS001006317,SMR000384314,T5334283, N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2,,3-dimethoxyphenyl)methyl-methylamino]acetamide,Canonical SMILES: CC1=CC(=C(C=C1Cl)OC)NC(=O)CN(C)CC2=C(C(=CC=C2)OC)OC,InChI: InChI=1/C20H25ClN2O4/c1-13-9-16(18(26-4)10-15
[Synonyms]
MLS001006317
SMR000384314
T5334283

[Structure]
MLS001006317,SMR000384314,T5334283, N-(4-chloro-2-methoxy-5-methylphen

[ Properties Computed from Structure]
Molecular Weight392.8765 [g/mol]
Molecular FormulaC20H25ClN2O4
XLogP2.8
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count8
Tautomer Count2
Exact Mass392.150285
MonoIsotopic Mass392.150285
Topological Polar Surface Area60
Heavy Atom Count27
Formal Charge0
Complexity467
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2,
3-dimethoxyphenyl)methyl-methylamino]acetamide
Canonical SMILES: CC1=CC(=C(C=C1Cl)OC)NC(=O)CN(C)CC2=C(C(=CC=C2)OC)OC
InChI: InChI=1/C20H25ClN2O4/c1-13-9-16(18(26-4)10-15(13)21)22-19(24)12-23(2)11-
14-7-6-8-17(25-3)20(14)27-5/h6-10H,11-12H2,1-5H3,(H,22,24)/f/h22H

 
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