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ZINC00882226,ASN 03574478, N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-phenyl

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摘 要:ZINC00882226,ASN 03574478, N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-phenyl-1,3,,4-oxadiazol-2-yl)sulfanyl]acetamide,Canonical SMILES: C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN=C(O3)C4=CC=CC=C4,InChI: InChI=1/C18H15N3O4S/c22-16(19-9-12-6-7-14-15(8-12)24-11-23-14
[Synonyms]
ZINC00882226
ASN 03574478

[Structure]
ZINC00882226,ASN 03574478, N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-phenyl

[ Properties Computed from Structure]
Molecular Weight369.3944 [g/mol]
Molecular FormulaC18H15N3O4S
XLogP4
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count6
Tautomer Count2
Exact Mass369.078327
MonoIsotopic Mass369.078327
Topological Polar Surface Area86.5
Heavy Atom Count26
Formal Charge0
Complexity477
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-(1,3-benzodioxol-5-ylmethyl)-2-[(5-phenyl-1,3,
4-oxadiazol-2-yl)sulfanyl]acetamide
Canonical SMILES: C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN=C(O3)C4=CC=CC=C4
InChI: InChI=1/C18H15N3O4S/c22-16(19-9-12-6-7-14-15(8-12)24-11-23-14)10-26-18-
21-20-17(25-18)13-4-2-1-3-5-13/h1-8H,9-11H2,(H,19,22)/f/h19H

 
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