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N-(4-methoxyphenyl)-2-[[2-(4-methylphenyl)-5H-chromeno[3,,2-e]pyrimid

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摘 要: N-(4-methoxyphenyl)-2-[[2-(4-methylphenyl)-5H-chromeno[3,,2-e]pyrimidin-4-yl]sulfanyl]acetamide,Canonical SMILES: CC1=CC=C(C=C1)C2=NC3=C(CC4=CC=CC=C4O3)C(=N2)SCC(=O)NC5=CC=C(C=C5)OC,InChI: InChI=1/C27H23N3O3S/c1-17-7-9-18(10-8-17)25-29-26-22(15-19-5
[Synonyms]

[Structure]
 N-(4-methoxyphenyl)-2-[[2-(4-methylphenyl)-5H-chromeno[3,,2-e]pyrimid

[ Properties Computed from Structure]
Molecular Weight469.55482 [g/mol]
Molecular FormulaC27H23N3O3S
XLogP5.4
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count6
Tautomer Count2
Exact Mass469.146012
MonoIsotopic Mass469.146012
Topological Polar Surface Area73.3
Heavy Atom Count34
Formal Charge0
Complexity666
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-methoxyphenyl)-2-[[2-(4-methylphenyl)-5H-chromeno[3,
2-e]pyrimidin-4-yl]sulfanyl]acetamide
Canonical SMILES: CC1=CC=C(C=C1)C2=NC3=C(CC4=CC=CC=C4O3)C(=N2)SCC(=O)NC5=CC=C(C=C5)OC
InChI: InChI=1/C27H23N3O3S/c1-17-7-9-18(10-8-17)25-29-26-22(15-19-5-3-4-6-23
(19)33-26)27(30-25)34-16-24(31)28-20-11-13-21(32-2)14-12-20/h3-14H,
15-16H2,1-2H3,(H,28,31)/f/h28H

 
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