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Oprea1_267081,Oprea1_840009,ASN 03431465,N-[4-(2,5-Dimethoxy-phenyl)-t

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摘 要:Oprea1_267081,Oprea1_840009,ASN 03431465,N-[4-(2,5-Dimethoxy-phenyl)-thiazol-2-yl]-4-fluoro-N-phenethyl-benzamide, N-[4-(2,5-dimethoxyphenyl)-1,,3-thiazol-2-yl]-4-fluoro-N-(2-phenylethyl)benzamide,Canonical SMILES: COC1=CC(=C(C=C1)OC)C2=CSC(=N2)N(CCC
[Synonyms]
Oprea1_267081
Oprea1_840009
ASN 03431465
N-[4-(2,5-Dimethoxy-phenyl)-thiazol-2-yl]-4-fluoro-N-phenethyl-benzamide

[Structure]
Oprea1_267081,Oprea1_840009,ASN 03431465,N-[4-(2,5-Dimethoxy-phenyl)-t

[ Properties Computed from Structure]
Molecular Weight462.535823 [g/mol]
Molecular FormulaC26H23FN2O3S
XLogP5.8
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count8
Exact Mass462.141342
MonoIsotopic Mass462.141342
Topological Polar Surface Area51.7
Heavy Atom Count33
Formal Charge0
Complexity612
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-(2,5-dimethoxyphenyl)-1,
3-thiazol-2-yl]-4-fluoro-N-(2-phenylethyl)benzamide
Canonical SMILES: COC1=CC(=C(C=C1)OC)C2=CSC(=N2)N(CCC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F
InChI: InChI=1/C26H23FN2O3S/c1-31-21-12-13-24(32-2)22(16-21)23-17-33-26(28-23)
29(15-14-18-6-4-3-5-7-18)25(30)19-8-10-20(27)11-9-19/h3-13,16-17H,
14-15H2,1-2H3

 
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