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Home > Indoles and Oxindole > 651331-68-9
651331-68-9 | 1H-Indole-3-dodecanol, 4-methoxy-1-[(4-methoxyphenyl)sulfonyl]-
CAS No: 651331-68-9 Catalog No: AG006QLD MDL No:
Product Description
Catalog Number:
AG006QLD
Chemical Name:
1H-Indole-3-dodecanol, 4-methoxy-1-[(4-methoxyphenyl)sulfonyl]-
CAS Number:
651331-68-9
Molecular Formula:
C28H39NO5S
Molecular Weight:
501.6780
IUPAC Name:
12-[4-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]dodecan-1-ol
InChI:
InChI=1S/C28H39NO5S/c1-33-24-17-19-25(20-18-24)35(31,32)29-22-23(28-26(29)15-13-16-27(28)34-2)14-11-9-7-5-3-4-6-8-10-12-21-30/h13,15-20,22,30H,3-12,14,21H2,1-2H3
InChI Key:
SNJPQSPOUMSBTG-UHFFFAOYSA-N
SMILES:
OCCCCCCCCCCCCc1cn(c2c1c(OC)ccc2)S(=O)(=O)c1ccc(cc1)OC
Properties
Complexity:
673
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
501.255g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
501.682g/mol
Monoisotopic Mass:
501.255g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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