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866137-16-8 | (5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(3-phenylpropyl)-1,3-thiazolidine-2,4-dione
CAS No: 866137-16-8 Catalog No: AG00ISHM MDL No:MFCD03787211
Product Description
Catalog Number:
AG00ISHM
Chemical Name:
(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(3-phenylpropyl)-1,3-thiazolidine-2,4-dione
CAS Number:
866137-16-8
Molecular Formula:
C20H19NO4S
Molecular Weight:
369.4342
MDL Number:
MFCD03787211
IUPAC Name:
5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(3-phenylpropyl)-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C20H19NO4S/c1-25-17-12-15(9-10-16(17)22)13-18-19(23)21(20(24)26-18)11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12-13,22H,5,8,11H2,1H3
InChI Key:
UIYBTVQOWKKSPR-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1O)/C=C\1/SC(=O)N(C1=O)CCCc1ccccc1
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.103g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.435g/mol
Monoisotopic Mass:
369.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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