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Oprea1_794092,MLS000539583,SMR000125241,4F-035,(2,4-dichlorophenyl){1-

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摘 要:Oprea1_794092,MLS000539583,SMR000125241,4F-035,(2,4-dichlorophenyl){1-methyl-5-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1H-pyrrol-3-yl}methanone, (2,4-dichlorophenyl)-[1-methyl-5-[5-(phenoxymethyl)-1,3,,4-oxadiazol-2-yl]pyrrol-3-yl]methanone,Canonica
[Synonyms]
Oprea1_794092
MLS000539583
SMR000125241
4F-035
(2,4-dichlorophenyl){1-methyl-5-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1H-pyrrol-3-yl}methanone

[Structure]
Oprea1_794092,MLS000539583,SMR000125241,4F-035,(2,4-dichlorophenyl){1-

[ Properties Computed from Structure]
Molecular Weight428.2681 [g/mol]
Molecular FormulaC21H15Cl2N3O3
XLogP6.4
H-Bond Donor0
H-Bond Acceptor6
Rotatable Bond Count6
Exact Mass427.049047
MonoIsotopic Mass427.049047
Topological Polar Surface Area70.2
Heavy Atom Count29
Formal Charge0
Complexity563
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: (2,4-dichlorophenyl)-[1-methyl-5-[5-(phenoxymethyl)-1,3,
4-oxadiazol-2-yl]pyrrol-3-yl]methanone
Canonical SMILES: CN1C=C(C=C1C2=NN=C(O2)COC3=CC=CC=C3)C(=O)C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1/C21H15Cl2N3O3/c1-26-11-13(20(27)16-8-7-14(22)10-17(16)23)9-18
(26)21-25-24-19(29-21)12-28-15-5-3-2-4-6-15/h2-11H,12H2,1H3

 
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