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ZINC00938584 2-(1,3-dioxoisoindol-2-yl)-N-[5-[(2R)-oxolan-2-yl]-1,3,,4

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摘 要:ZINC00938584 2-(1,3-dioxoisoindol-2-yl)-N-[5-[(2R)-oxolan-2-yl]-1,3,,4-thiadiazol-2-yl]acetamide,Canonical SMILES: C1CC(OC1)C2=NN=C(S2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O,Isomeric SMILES: C1C[C@@H](OC1)C2=NN=C(S2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O,InChI: InChI=
[Synonyms]
ZINC00938584
[Structure]
ZINC00938584 2-(1,3-dioxoisoindol-2-yl)-N-[5-[(2R)-oxolan-2-yl]-1,3,,4

[ Properties Computed from Structure]
Molecular Weight358.37176 [g/mol]
Molecular FormulaC16H14N4O4S
XLogP1.5
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count4
Tautomer Count6
Exact Mass358.073576
MonoIsotopic Mass358.073576
Topological Polar Surface Area102
Heavy Atom Count25
Formal Charge0
Complexity550
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-N-[5-[(2R)-oxolan-2-yl]-1,3,
4-thiadiazol-2-yl]acetamide
Canonical SMILES: C1CC(OC1)C2=NN=C(S2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O
Isomeric SMILES: C1C[C@@H](OC1)C2=NN=C(S2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O
InChI: InChI=1/C16H14N4O4S/c21-12(17-16-19-18-13(25-16)11-6-3-7-24-11)8-20-14
(22)9-4-1-2-5-10(9)15(20)23/h1-2,4-5,11H,3,6-8H2,(H,17,19,
21)/t11-/m1/s1/f/h17H

 
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