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87805-01-4 | 4-Thiazolidinone, 5-(3-ethyl-4,5-diphenyl-2(3H)-oxazolylidene)-2-thioxo-
CAS No: 87805-01-4 Catalog No: AG004K4Q MDL No:
Product Description
Catalog Number:
AG004K4Q
Chemical Name:
4-Thiazolidinone, 5-(3-ethyl-4,5-diphenyl-2(3H)-oxazolylidene)-2-thioxo-
CAS Number:
87805-01-4
Molecular Formula:
C20H16N2O2S2
Molecular Weight:
380.4832
IUPAC Name:
5-(3-ethyl-4,5-diphenyl-1,3-oxazol-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C20H16N2O2S2/c1-2-22-15(13-9-5-3-6-10-13)16(14-11-7-4-8-12-14)24-19(22)17-18(23)21-20(25)26-17/h3-12H,2H2,1H3,(H,21,23,25)
InChI Key:
DDKOQFUDPPMSDL-UHFFFAOYSA-N
SMILES:
CCn1c(c2ccccc2)c(oc1=C1SC(=S)NC1=O)c1ccccc1
Properties
Complexity:
659
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.065g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.48g/mol
Monoisotopic Mass:
380.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.7
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