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Home > Indoles and Oxindole > 105389-90-0
105389-90-0 | 1H-Indole, 3-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thio]-
CAS No: 105389-90-0 Catalog No: AG007WN7 MDL No:
Product Description
Catalog Number:
AG007WN7
Chemical Name:
1H-Indole, 3-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thio]-
CAS Number:
105389-90-0
Molecular Formula:
C17H18N2OS
Molecular Weight:
298.4026
IUPAC Name:
3-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-1H-indole
InChI:
InChI=1S/C17H18N2OS/c1-11-8-18-15(12(2)17(11)20-3)10-21-16-9-19-14-7-5-4-6-13(14)16/h4-9,19H,10H2,1-3H3
InChI Key:
IFGSHGPPLSVTHV-UHFFFAOYSA-N
SMILES:
COc1c(C)cnc(c1C)CSc1c[nH]c2c1cccc2
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.114g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.404g/mol
Monoisotopic Mass:
298.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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