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Home > Indoles and Oxindole > 89735-58-0
89735-58-0 | 1H-Indole-2,3-dione, 1-[2-[4-(dodecylthio)phenyl]-2-oxoethyl]-
CAS No: 89735-58-0 Catalog No: AG0041PL MDL No:
Product Description
Catalog Number:
AG0041PL
Chemical Name:
1H-Indole-2,3-dione, 1-[2-[4-(dodecylthio)phenyl]-2-oxoethyl]-
CAS Number:
89735-58-0
Molecular Formula:
C28H35NO3S
Molecular Weight:
465.6474
IUPAC Name:
1-[2-(4-dodecylsulfanylphenyl)-2-oxoethyl]indole-2,3-dione
InChI:
InChI=1S/C28H35NO3S/c1-2-3-4-5-6-7-8-9-10-13-20-33-23-18-16-22(17-19-23)26(30)21-29-25-15-12-11-14-24(25)27(31)28(29)32/h11-12,14-19H,2-10,13,20-21H2,1H3
InChI Key:
HWFYKEKKYUGTMR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCSc1ccc(cc1)C(=O)CN1c2ccccc2C(=O)C1=O
Properties
Complexity:
629
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.234g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
465.652g/mol
Monoisotopic Mass:
465.234g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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