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(2R,3R)-1-furan-2-yl-3-(4-methoxyphenyl)-2,,3-di(morpholin-4-yl)propa

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摘 要: (2R,3R)-1-furan-2-yl-3-(4-methoxyphenyl)-2,,3-di(morpholin-4-yl)propan-1-one,Canonical SMILES: COC1=CC=C(C=C1)C(C(C(=O)C2=CC=CO2)N3CCOCC3)N4CCOCC4,Isomeric SMILES: COC1=CC=C(C=C1)[C@H]([C@H](C(=O)C2=CC=CO2)N3CCOCC3)N4CCOCC4,InChI: InChI=1/C22H28N2O5
[Synonyms]

[Structure]
 (2R,3R)-1-furan-2-yl-3-(4-methoxyphenyl)-2,,3-di(morpholin-4-yl)propa

[ Properties Computed from Structure]
Molecular Weight400.46812 [g/mol]
Molecular FormulaC22H28N2O5
XLogP1
H-Bond Donor0
H-Bond Acceptor7
Rotatable Bond Count7
Tautomer Count2
Exact Mass400.199822
MonoIsotopic Mass400.199822
Topological Polar Surface Area64.4
Heavy Atom Count29
Formal Charge0
Complexity513
Isotope Atom Count0
Defined Atom StereoCenter Count2
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (2R,3R)-1-furan-2-yl-3-(4-methoxyphenyl)-2,
3-di(morpholin-4-yl)propan-1-one
Canonical SMILES: COC1=CC=C(C=C1)C(C(C(=O)C2=CC=CO2)N3CCOCC3)N4CCOCC4
Isomeric SMILES: COC1=CC=C(C=C1)[C@H]([C@H](C(=O)C2=CC=CO2)N3CCOCC3)N4CCOCC4
InChI: InChI=1/C22H28N2O5/c1-26-18-6-4-17(5-7-18)20(23-8-13-27-14-9-23)21(24-
10-15-28-16-11-24)22(25)19-3-2-12-29-19/h2-7,12,20-21H,8-11,13-16H2,
1H3/t20-,21-/m1/s1

 
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