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ZINC00882150,ASN 03572405,4-tert-Butyl-N-furan-2-ylmethyl-N-(4-phenyl-

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摘 要:ZINC00882150,ASN 03572405,4-tert-Butyl-N-furan-2-ylmethyl-N-(4-phenyl-thiazol-2-yl)-benzamide, 4-tert-butyl-N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide,Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)N(CC2=CC=CO2)C3=NC(=CS3)C4=CC=CC=C4,In
[Synonyms]
ZINC00882150
ASN 03572405
4-tert-Butyl-N-furan-2-ylmethyl-N-(4-phenyl-thiazol-2-yl)-benzamide

[Structure]
ZINC00882150,ASN 03572405,4-tert-Butyl-N-furan-2-ylmethyl-N-(4-phenyl-

[ Properties Computed from Structure]
Molecular Weight416.53526 [g/mol]
Molecular FormulaC25H24N2O2S
XLogP6.2
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count6
Exact Mass416.155849
MonoIsotopic Mass416.155849
Topological Polar Surface Area46.3
Heavy Atom Count30
Formal Charge0
Complexity564
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-tert-butyl-N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)N(CC2=CC=CO2)C3=NC(=CS3)C4=CC=CC=C4
InChI: InChI=1/C25H24N2O2S/c1-25(2,
3)20-13-11-19(12-14-20)23(28)27(16-21-10-7-15-29-21)24-26-22(17-30-24)
18-8-5-4-6-9-18/h4-15,17H,16H2,1-3H3

 
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