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Home > Indoles and Oxindole > 85678-46-2
85678-46-2 | 1H-Indole, 2-(4-morpholinylmethyl)-1-(phenylsulfonyl)-3-(phenylthio)-
CAS No: 85678-46-2 Catalog No: AG0050I5 MDL No:
Product Description
Catalog Number:
AG0050I5
Chemical Name:
1H-Indole, 2-(4-morpholinylmethyl)-1-(phenylsulfonyl)-3-(phenylthio)-
CAS Number:
85678-46-2
Molecular Formula:
C25H24N2O3S2
Molecular Weight:
464.5997
IUPAC Name:
4-[[1-(benzenesulfonyl)-3-phenylsulfanylindol-2-yl]methyl]morpholine
InChI:
InChI=1S/C25H24N2O3S2/c28-32(29,21-11-5-2-6-12-21)27-23-14-8-7-13-22(23)25(31-20-9-3-1-4-10-20)24(27)19-26-15-17-30-18-16-26/h1-14H,15-19H2
InChI Key:
CBDLWUFTILYJSZ-UHFFFAOYSA-N
SMILES:
O=S(=O)(n1c(CN2CCOCC2)c(c2c1cccc2)Sc1ccccc1)c1ccccc1
Properties
Complexity:
695
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.123g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
464.598g/mol
Monoisotopic Mass:
464.123g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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