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4-hydroxy-8-(morpholin-4-ylmethyl)-3-(4-propylphenoxy)-2-,(trifluorom

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摘 要: 4-hydroxy-8-(morpholin-4-ylmethyl)-3-(4-propylphenoxy)-2-,(trifluoromethyl)chromen-7-one,Canonical SMILES: CCCC1=CC=C(C=C1)OC2=C(OC3=C(C(=O)C=CC3=C2O)CN4CCOCC4)C(F)(F)F,InChI: InChI=1/C24H24F3NO5/c1-2-3-15-4-6-16(7-5-15)32-22-20(30)17-8-9-19(29)18,(
[Synonyms]

[Structure]
 4-hydroxy-8-(morpholin-4-ylmethyl)-3-(4-propylphenoxy)-2-,(trifluorom

[ Properties Computed from Structure]
Molecular Weight463.44627 [g/mol]
Molecular FormulaC24H24F3NO5
XLogP4.1
H-Bond Donor1
H-Bond Acceptor9
Rotatable Bond Count6
Tautomer Count5
Exact Mass463.160657
MonoIsotopic Mass463.160657
Topological Polar Surface Area68.2
Heavy Atom Count33
Formal Charge0
Complexity888
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-hydroxy-8-(morpholin-4-ylmethyl)-3-(4-propylphenoxy)-2-
(trifluoromethyl)chromen-7-one
Canonical SMILES: CCCC1=CC=C(C=C1)OC2=C(OC3=C(C(=O)C=CC3=C2O)CN4CCOCC4)C(F)(F)F
InChI: InChI=1/C24H24F3NO5/c1-2-3-15-4-6-16(7-5-15)32-22-20(30)17-8-9-19(29)18
(14-28-10-12-31-13-11-28)21(17)33-23(22)24(25,26)27/h4-9,30H,2-3,
10-14H2,1H3

 
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