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ZINC00882162,ASN 03572433,N-Furan-2-ylmethyl-3-methyl-N-(4-phenyl-thia

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摘 要:ZINC00882162,ASN 03572433,N-Furan-2-ylmethyl-3-methyl-N-(4-phenyl-thiazol-2-yl)-benzamide, N-(furan-2-ylmethyl)-3-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide,Canonical SMILES: CC1=CC=CC(=C1)C(=O)N(CC2=CC=CO2)C3=NC(=CS3)C4=CC=CC=C4,InChI: InChI=1/C2
[Synonyms]
ZINC00882162
ASN 03572433
N-Furan-2-ylmethyl-3-methyl-N-(4-phenyl-thiazol-2-yl)-benzamide

[Structure]
ZINC00882162,ASN 03572433,N-Furan-2-ylmethyl-3-methyl-N-(4-phenyl-thia

[ Properties Computed from Structure]
Molecular Weight374.45552 [g/mol]
Molecular FormulaC22H18N2O2S
XLogP4.8
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count5
Exact Mass374.108899
MonoIsotopic Mass374.108899
Topological Polar Surface Area46.3
Heavy Atom Count27
Formal Charge0
Complexity497
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-(furan-2-ylmethyl)-3-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
Canonical SMILES: CC1=CC=CC(=C1)C(=O)N(CC2=CC=CO2)C3=NC(=CS3)C4=CC=CC=C4
InChI: InChI=1/C22H18N2O2S/c1-16-7-5-10-18(13-16)21(25)24(14-19-11-6-12-26-19)
22-23-20(15-27-22)17-8-3-2-4-9-17/h2-13,15H,14H2,1H3

 
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