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Oprea1_019190,Oprea1_745011,ZINC00932047,ASN 04449972,2-[5-(4-Methoxy-

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摘 要:Oprea1_019190,Oprea1_745011,ZINC00932047,ASN 04449972,2-[5-(4-Methoxy-phenyl)-tetrazol-2-yl]-N-(2-morpholin-4-yl-phenyl)-acetamide, 2-[5-(4-methoxyphenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide,Canonical SMILES: COC1=CC=C(C=C1)C2=NN(N=N2)C
[Synonyms]
Oprea1_019190
Oprea1_745011
ZINC00932047
ASN 04449972
2-[5-(4-Methoxy-phenyl)-tetrazol-2-yl]-N-(2-morpholin-4-yl-phenyl)-acetamide

[Structure]
Oprea1_019190,Oprea1_745011,ZINC00932047,ASN 04449972,2-[5-(4-Methoxy-

[ Properties Computed from Structure]
Molecular Weight394.42708 [g/mol]
Molecular FormulaC20H22N6O3
XLogP2.7
H-Bond Donor1
H-Bond Acceptor8
Rotatable Bond Count6
Tautomer Count2
Exact Mass394.175339
MonoIsotopic Mass394.175339
Topological Polar Surface Area94.4
Heavy Atom Count29
Formal Charge0
Complexity524
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-[5-(4-methoxyphenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide
Canonical SMILES: COC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NC3=CC=CC=C3N4CCOCC4
InChI: InChI=1/C20H22N6O3/c1-28-16-8-6-15(7-9-16)20-22-24-26(23-20)14-19(27)21-
17-4-2-3-5-18(17)25-10-12-29-13-11-25/h2-9H,10-14H2,1H3,(H,21,27)/f/h21H

 
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