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ZINC00933958,ASN 03070279, 2-[[5-[(2-methoxyphenoxy)methyl]-4-(2-metho

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摘 要:ZINC00933958,ASN 03070279, 2-[[5-[(2-methoxyphenoxy)methyl]-4-(2-methoxyphenyl)-1,2,,4-triazol-3-yl]sulfanyl]acetamide,Canonical SMILES: COC1=CC=CC=C1N2C(=NN=C2SCC(=O)N)COC3=CC=CC=C3OC,InChI: InChI=1/C19H20N4O4S/c1-25-14-8-4-3-7-13(14)23-18(21-22-19(
[Synonyms]
ZINC00933958
ASN 03070279

[Structure]
ZINC00933958,ASN 03070279, 2-[[5-[(2-methoxyphenoxy)methyl]-4-(2-metho

[ Properties Computed from Structure]
Molecular Weight400.4515 [g/mol]
Molecular FormulaC19H20N4O4S
XLogP3.3
H-Bond Donor1
H-Bond Acceptor7
Rotatable Bond Count9
Tautomer Count2
Exact Mass400.120526
MonoIsotopic Mass400.120526
Topological Polar Surface Area102
Heavy Atom Count28
Formal Charge0
Complexity501
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: 2-[[5-[(2-methoxyphenoxy)methyl]-4-(2-methoxyphenyl)-1,2,
4-triazol-3-yl]sulfanyl]acetamide
Canonical SMILES: COC1=CC=CC=C1N2C(=NN=C2SCC(=O)N)COC3=CC=CC=C3OC
InChI: InChI=1/C19H20N4O4S/c1-25-14-8-4-3-7-13(14)23-18(21-22-19(23)28-12-17
(20)24)11-27-16-10-6-5-9-15(16)26-2/h3-10H,11-12H2,1-2H3,(H2,20,
24)/f/h20H2

 
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