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58090-15-6 | 3-cyclohexyl-5-[4-(3-ethyl-4,5-diphenyloxazol-2(3H)-ylidene)-1-methylbut-2-enylidene]-2-thioxothiazolidin-4-one
CAS No: 58090-15-6 Catalog No: AG00ERQT MDL No:
Product Description
Catalog Number:
AG00ERQT
Chemical Name:
3-cyclohexyl-5-[4-(3-ethyl-4,5-diphenyloxazol-2(3H)-ylidene)-1-methylbut-2-enylidene]-2-thioxothiazolidin-4-one
CAS Number:
58090-15-6
IUPAC Name:
3-cyclohexyl-5-[5-(3-ethyl-4,5-diphenyl-1,3-oxazol-2-ylidene)pent-3-en-2-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C31H32N2O2S2/c1-3-32-26(35-28(24-17-9-5-10-18-24)27(32)23-15-7-4-8-16-23)21-13-14-22(2)29-30(34)33(31(36)37-29)25-19-11-6-12-20-25/h4-5,7-10,13-18,21,25H,3,6,11-12,19-20H2,1-2H3
InChI Key:
CCVIWMKJHOBSDI-UHFFFAOYSA-N
EC Number:
261-110-4
Properties
Complexity:
993
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
528.191g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
528.729g/mol
Monoisotopic Mass:
528.191g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
8.6
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