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ASN 03572436 5-chloro-N-(furan-2-ylmethyl)-3-methyl-1-phenyl-N-(4-phen

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摘 要:ASN 03572436 5-chloro-N-(furan-2-ylmethyl)-3-methyl-1-phenyl-N-(4-phenyl-1,,3-thiazol-2-yl)pyrazole-4-carboxamide,Canonical SMILES: CC1=NN(C(=C1C(=O)N(CC2=CC=CO2)C3=NC(=CS3)C4=CC=CC=C4)Cl)C5=CC=CC=C5,InChI: InChI=1/C25H19ClN4O2S/c1-17-22(23(26)30(28-
[Synonyms]
ASN 03572436
[Structure]
ASN 03572436 5-chloro-N-(furan-2-ylmethyl)-3-methyl-1-phenyl-N-(4-phen

[ Properties Computed from Structure]
Molecular Weight474.96196 [g/mol]
Molecular FormulaC25H19ClN4O2S
XLogP5.2
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count6
Exact Mass474.091724
MonoIsotopic Mass474.091724
Topological Polar Surface Area64.2
Heavy Atom Count33
Formal Charge0
Complexity660
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: 5-chloro-N-(furan-2-ylmethyl)-3-methyl-1-phenyl-N-(4-phenyl-1,
3-thiazol-2-yl)pyrazole-4-carboxamide
Canonical SMILES: CC1=NN(C(=C1C(=O)N(CC2=CC=CO2)C3=NC(=CS3)C4=CC=CC=C4)Cl)C5=CC=CC=C5
InChI: InChI=1/C25H19ClN4O2S/c1-17-22(23(26)30(28-17)19-11-6-3-7-12-19)24(31)29
(15-20-13-8-14-32-20)25-27-21(16-33-25)18-9-4-2-5-10-18/h2-14,16H,15H2,
1H3

 
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