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477859-23-7 | 1-[(5Z)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]piperidine-2,6-dione
CAS No: 477859-23-7 Catalog No: AG00IO25 MDL No:MFCD00794123
Product Description
Catalog Number:
AG00IO25
Chemical Name:
1-[(5Z)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]piperidine-2,6-dione
CAS Number:
477859-23-7
Molecular Formula:
C16H14N2O4S2
Molecular Weight:
362.4234
MDL Number:
MFCD00794123
IUPAC Name:
1-[5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]piperidine-2,6-dione
InChI:
InChI=1S/C16H14N2O4S2/c1-22-11-5-2-4-10(8-11)9-12-15(21)18(16(23)24-12)17-13(19)6-3-7-14(17)20/h2,4-5,8-9H,3,6-7H2,1H3
InChI Key:
PTVPHSLWPQALCP-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)/C=C/1\SC(=S)N(C1=O)N1C(=O)CCCC1=O
Properties
Complexity:
603
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.039g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.418g/mol
Monoisotopic Mass:
362.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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