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23522-25-0 | 4-Thiazolidinone, 3-[2-(3,4-diethoxyphenyl)ethyl]-5-ethyl-2-thioxo-
CAS No: 23522-25-0 Catalog No: AG002NK1 MDL No:
Product Description
Catalog Number:
AG002NK1
Chemical Name:
4-Thiazolidinone, 3-[2-(3,4-diethoxyphenyl)ethyl]-5-ethyl-2-thioxo-
CAS Number:
23522-25-0
Molecular Formula:
C17H23NO3S2
Molecular Weight:
353.4994
IUPAC Name:
3-[2-(3,4-diethoxyphenyl)ethyl]-5-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C17H23NO3S2/c1-4-15-16(19)18(17(22)23-15)10-9-12-7-8-13(20-5-2)14(11-12)21-6-3/h7-8,11,15H,4-6,9-10H2,1-3H3
InChI Key:
IBJUAIAZODBQER-UHFFFAOYSA-N
SMILES:
CCOc1cc(CCN2C(=S)SC(C2=O)CC)ccc1OCC
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.112g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.495g/mol
Monoisotopic Mass:
353.112g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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