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2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-,(phenylme

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摘 要: 2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-,(phenylmethyl)-1,3-thiazol-4-one,Canonical SMILES: COC1=C(C=CC(=C1)C=NNC2=NC(=O)C(S2)CC3=CC=CC=C3)O,InChI: InChI=1/C18H17N3O3S/c1-24-15-9-13(7-8-14(15)22)11-19-21-18-20-17(23)16,(25-18)10-1
[Synonyms]

[Structure]
 2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-,(phenylme

[ Properties Computed from Structure]
Molecular Weight355.41088 [g/mol]
Molecular FormulaC18H17N3O3S
XLogP3.6
H-Bond Donor2
H-Bond Acceptor5
Rotatable Bond Count6
Tautomer Count12
Exact Mass355.099062
MonoIsotopic Mass355.099062
Topological Polar Surface Area83.3
Heavy Atom Count25
Formal Charge0
Complexity520
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count1
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-
(phenylmethyl)-1,3-thiazol-4-one
Canonical SMILES: COC1=C(C=CC(=C1)C=NNC2=NC(=O)C(S2)CC3=CC=CC=C3)O
InChI: InChI=1/C18H17N3O3S/c1-24-15-9-13(7-8-14(15)22)11-19-21-18-20-17(23)16
(25-18)10-12-5-3-2-4-6-12/h2-9,11,16,22H,10H2,1H3,(H,20,21,23)/f/h21H

 
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