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Oprea1_372870 N-(4-fluorophenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol

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摘 要:Oprea1_372870 N-(4-fluorophenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide,Canonical SMILES: C1COCCN1C2=CC=C(C=C2)C3=NN(N=N3)CC(=O)NC4=CC=C(C=C4)F,InChI: InChI=1/C19H19FN6O2/c20-15-3-5-16(6-4-15)21-18(27)13-26-23-19(22-24-26),14-1-7-17(8-2
[Synonyms]
Oprea1_372870
[Structure]
Oprea1_372870 N-(4-fluorophenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol

[ Properties Computed from Structure]
Molecular Weight382.391563 [g/mol]
Molecular FormulaC19H19FN6O2
XLogP2.9
H-Bond Donor1
H-Bond Acceptor8
Rotatable Bond Count5
Tautomer Count2
Exact Mass382.155352
MonoIsotopic Mass382.155352
Topological Polar Surface Area85.2
Heavy Atom Count28
Formal Charge0
Complexity505
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-fluorophenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
Canonical SMILES: C1COCCN1C2=CC=C(C=C2)C3=NN(N=N3)CC(=O)NC4=CC=C(C=C4)F
InChI: InChI=1/C19H19FN6O2/c20-15-3-5-16(6-4-15)21-18(27)13-26-23-19(22-24-26)
14-1-7-17(8-2-14)25-9-11-28-12-10-25/h1-8H,9-13H2,(H,21,27)/f/h21H

 
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