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Oprea1_171513,Oprea1_187999, 4-[2-[1-(furan-2-ylmethyl)-5-phenylimidaz

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摘 要:Oprea1_171513,Oprea1_187999, 4-[2-[1-(furan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylethyl],morpholine,Canonical SMILES: C1COCCN1CCSC2=NC=C(N2CC3=CC=CO3)C4=CC=CC=C4,InChI: InChI=1/C20H23N3O2S/c1-2-5-17(6-3-1)19-15-21-20(23(19)16-18-7-4-11-25-,18)26-
[Synonyms]
Oprea1_171513
Oprea1_187999

[Structure]
Oprea1_171513,Oprea1_187999, 4-[2-[1-(furan-2-ylmethyl)-5-phenylimidaz

[ Properties Computed from Structure]
Molecular Weight369.48052 [g/mol]
Molecular FormulaC20H23N3O2S
XLogP2.8
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count7
Exact Mass369.151098
MonoIsotopic Mass369.151098
Topological Polar Surface Area43.4
Heavy Atom Count26
Formal Charge0
Complexity416
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: 4-[2-[1-(furan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylethyl]
morpholine
Canonical SMILES: C1COCCN1CCSC2=NC=C(N2CC3=CC=CO3)C4=CC=CC=C4
InChI: InChI=1/C20H23N3O2S/c1-2-5-17(6-3-1)19-15-21-20(23(19)16-18-7-4-11-25-
18)26-14-10-22-8-12-24-13-9-22/h1-7,11,15H,8-10,12-14,16H2

 
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