Home Carboxys 4-[(3-[2-(3,4-Dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl-2-methoxyphenyl furan-2-carboxylate

4-[(3-[2-(3,4-Dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl-2-methoxyphenyl furan-2-carboxylate

CAS No.:
374102-99-5
Catalog Number:
AG01F2GE
Molecular Formula:
C26H23NO7S2
Molecular Weight:
525.5933
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
95%
1 week
United States
$205
- +
Product Description
Catalog Number:
AG01F2GE
Chemical Name:
4-[(3-[2-(3,4-Dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl-2-methoxyphenyl furan-2-carboxylate
CAS Number:
374102-99-5
Molecular Formula:
C26H23NO7S2
Molecular Weight:
525.5933
MDL Number:
MFCD01457827
IUPAC Name:
[4-[(E)-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate
InChI:
InChI=1S/C26H23NO7S2/c1-30-18-8-6-16(13-21(18)31-2)10-11-27-24(28)23(36-26(27)35)15-17-7-9-19(22(14-17)32-3)34-25(29)20-5-4-12-33-20/h4-9,12-15H,10-11H2,1-3H3/b23-15+
InChI Key:
LRDSCTBDWYZVBZ-HZHRSRAPSA-N
SMILES:
COc1cc(ccc1OC(=O)c1ccco1)/C=C\1/SC(=S)N(C1=O)CCc1ccc(c(c1)OC)OC
Properties
Complexity:
837  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
525.092g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
525.59g/mol
Monoisotopic Mass:
525.092g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7  
Properties