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Oprea1_841750,ASN 03017244, N-(2,,6-dimethylphenyl)-2-[5-(4-fluorophen

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摘 要:Oprea1_841750,ASN 03017244, N-(2,,6-dimethylphenyl)-2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-,yl]sulfanylacetamide,Canonical SMILES: CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC=C(N2CC3=CC=CO3)C4=CC=C(C=C4)F,InChI: InChI=1/C24H22FN3O2S/c1-16-5-3-6-17(2
[Synonyms]
Oprea1_841750
ASN 03017244

[Structure]
Oprea1_841750,ASN 03017244, N-(2,,6-dimethylphenyl)-2-[5-(4-fluorophen

[ Properties Computed from Structure]
Molecular Weight435.513783 [g/mol]
Molecular FormulaC24H22FN3O2S
XLogP4.5
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count7
Tautomer Count2
Exact Mass435.141676
MonoIsotopic Mass435.141676
Topological Polar Surface Area60.1
Heavy Atom Count31
Formal Charge0
Complexity579
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-(2,
6-dimethylphenyl)-2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-
yl]sulfanylacetamide
Canonical SMILES: CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC=C(N2CC3=CC=CO3)C4=CC=C(C=C4)F
InChI: InChI=1/C24H22FN3O2S/c1-16-5-3-6-17(2)23(16)27-22(29)15-31-24-26-13-21
(18-8-10-19(25)11-9-18)28(24)14-20-7-4-12-30-20/h3-13H,14-15H2,1-2H3,(H,
27,29)/f/h27H

 
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