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ZINC00938628,ST5201967, N-[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]

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摘 要:ZINC00938628,ST5201967, N-[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-2,,5-diethoxyphenyl]benzamide,Canonical SMILES: CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCC)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O,InChI: InChI=1/C27H25N3O6/c1-3-35-22-15-21(29-25(32)17-10-6-5-7
[Synonyms]
ZINC00938628
ST5201967

[Structure]
ZINC00938628,ST5201967, N-[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]

[ Properties Computed from Structure]
Molecular Weight487.5039 [g/mol]
Molecular FormulaC27H25N3O6
XLogP3.1
H-Bond Donor2
H-Bond Acceptor6
Rotatable Bond Count9
Tautomer Count4
Exact Mass487.174336
MonoIsotopic Mass487.174336
Topological Polar Surface Area114
Heavy Atom Count36
Formal Charge0
Complexity789
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-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-2,
5-diethoxyphenyl]benzamide
Canonical SMILES: CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCC)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O
InChI: InChI=1/C27H25N3O6/c1-3-35-22-15-21(29-25(32)17-10-6-5-7-11-17)23(36-4-
2)14-20(22)28-24(31)16-30-26(33)18-12-8-9-13-19(18)27(30)34/h5-15H,3-4,
16H2,1-2H3,(H,28,31)(H,29,32)/f/h28-29H

 
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