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Home > Indoles and Oxindole > 304893-26-3
304893-26-3 | 3-[3-(2,5-Dimethoxy-phenyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]-1-hexyl-1,3-dihydro-indol-2-one
CAS No: 304893-26-3 Catalog No: AG01EUT0 MDL No:
Product Description
Catalog Number:
AG01EUT0
Chemical Name:
3-[3-(2,5-Dimethoxy-phenyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]-1-hexyl-1,3-dihydro-indol-2-one
CAS Number:
304893-26-3
Molecular Formula:
C25H26N2O4S2
Molecular Weight:
482.6149
IUPAC Name:
(5Z)-3-(2,5-dimethoxyphenyl)-5-(1-hexyl-2-oxoindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C25H26N2O4S2/c1-4-5-6-9-14-26-18-11-8-7-10-17(18)21(23(26)28)22-24(29)27(25(32)33-22)19-15-16(30-2)12-13-20(19)31-3/h7-8,10-13,15H,4-6,9,14H2,1-3H3/b22-21-
InChI Key:
PZLNKONROUOVSW-DQRAZIAOSA-N
SMILES:
CCCCCCN1C(=O)/C(=C/2\SC(=S)N(C2=O)c2cc(OC)ccc2OC)/c2c1cccc2
Properties
Complexity:
801
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
482.133g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
482.613g/mol
Monoisotopic Mass:
482.133g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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