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ASN 04458092 2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,,3-thiazol-2-

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摘 要:ASN 04458092 2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,,3-thiazol-2-yl]-N-(furan-2-ylmethyl)acetamide,Canonical SMILES: C1=COC(=C1)CN(C2=NC(=CS2)C3=CC=C(C=C3)F)C(=O)COC4=CC=C(C=C4)Cl,InChI: InChI=1/C22H16ClFN2O3S/c23-16-5-9-18(10-6-16)29-13-21(27)2
[Synonyms]
ASN 04458092
[Structure]
ASN 04458092 2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,,3-thiazol-2-

[ Properties Computed from Structure]
Molecular Weight442.890443 [g/mol]
Molecular FormulaC22H16ClFN2O3S
XLogP4.8
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count7
Exact Mass442.055419
MonoIsotopic Mass442.055419
Topological Polar Surface Area55.6
Heavy Atom Count30
Formal Charge0
Complexity559
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-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,
3-thiazol-2-yl]-N-(furan-2-ylmethyl)acetamide
Canonical SMILES: C1=COC(=C1)CN(C2=NC(=CS2)C3=CC=C(C=C3)F)C(=O)COC4=CC=C(C=C4)Cl
InChI: InChI=1/C22H16ClFN2O3S/c23-16-5-9-18(10-6-16)29-13-21(27)26(12-19-2-1-
11-28-19)22-25-20(14-30-22)15-3-7-17(24)8-4-15/h1-11,14H,12-13H2

 
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