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Oprea1_421980,Oprea1_552201,ASN 03431554,N-[4-(2,5-Dimethoxy-phenyl)-t

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摘 要:Oprea1_421980,Oprea1_552201,ASN 03431554,N-[4-(2,5-Dimethoxy-phenyl)-thiazol-2-yl]-N-furan-2-ylmethyl-benzamide, N-[4-(2,5-dimethoxyphenyl)-1,,3-thiazol-2-yl]-N-(furan-2-ylmethyl)benzamide,Canonical SMILES: COC1=CC(=C(C=C1)OC)C2=CSC(=N2)N(CC3=CC=CO3)
[Synonyms]
Oprea1_421980
Oprea1_552201
ASN 03431554
N-[4-(2,5-Dimethoxy-phenyl)-thiazol-2-yl]-N-furan-2-ylmethyl-benzamide

[Structure]
Oprea1_421980,Oprea1_552201,ASN 03431554,N-[4-(2,5-Dimethoxy-phenyl)-t

[ Properties Computed from Structure]
Molecular Weight420.4809 [g/mol]
Molecular FormulaC23H20N2O4S
XLogP4.2
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count7
Exact Mass420.114378
MonoIsotopic Mass420.114378
Topological Polar Surface Area64.8
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: N-[4-(2,5-dimethoxyphenyl)-1,
3-thiazol-2-yl]-N-(furan-2-ylmethyl)benzamide
Canonical SMILES: COC1=CC(=C(C=C1)OC)C2=CSC(=N2)N(CC3=CC=CO3)C(=O)C4=CC=CC=C4
InChI: InChI=1/C23H20N2O4S/c1-27-17-10-11-21(28-2)19(13-17)20-15-30-23(24-20)25
(14-18-9-6-12-29-18)22(26)16-7-4-3-5-8-16/h3-13,15H,14H2,1-2H3

 
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