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Oprea1_467495,Oprea1_509907,MLS000526746,ZINC00932029,ASN 04449846,SMR

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摘 要:Oprea1_467495,Oprea1_509907,MLS000526746,ZINC00932029,ASN 04449846,SMR000117220,2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-N-furan-2-ylmethyl-acetamide, 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide,Canonical SMILES: CCOC1=C(C=
[Synonyms]
Oprea1_467495
Oprea1_509907
MLS000526746
ZINC00932029
ASN 04449846
SMR000117220
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-N-furan-2-ylmethyl-acetamide

[Structure]
Oprea1_467495,Oprea1_509907,MLS000526746,ZINC00932029,ASN 04449846,SMR

[ Properties Computed from Structure]
Molecular Weight371.39044 [g/mol]
Molecular FormulaC18H21N5O4
XLogP2.2
H-Bond Donor1
H-Bond Acceptor8
Rotatable Bond Count9
Tautomer Count2
Exact Mass371.159354
MonoIsotopic Mass371.159354
Topological Polar Surface Area104
Heavy Atom Count27
Formal Charge0
Complexity469
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-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
Canonical SMILES: CCOC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)NCC3=CC=CO3)OCC
InChI: InChI=1/C18H21N5O4/c1-3-25-15-8-7-13(10-16(15)26-4-2)18-20-22-23(21-18)
12-17(24)19-11-14-6-5-9-27-14/h5-10H,3-4,11-12H2,1-2H3,(H,19,24)/f/h19H

 
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