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Home > Indoles and Oxindole > 153718-70-8
153718-70-8 | 1H-Indole, 3-(2-azidoethyl)-6,7-dimethoxy-1-[(4-methylphenyl)sulfonyl]-
CAS No: 153718-70-8 Catalog No: AG007XXY MDL No:
Product Description
Catalog Number:
AG007XXY
Chemical Name:
1H-Indole, 3-(2-azidoethyl)-6,7-dimethoxy-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
153718-70-8
Molecular Formula:
C19H20N4O4S
Molecular Weight:
400.4515
IUPAC Name:
3-(2-azidoethyl)-6,7-dimethoxy-1-(4-methylphenyl)sulfonylindole
InChI:
InChI=1S/C19H20N4O4S/c1-13-4-6-15(7-5-13)28(24,25)23-12-14(10-11-21-22-20)16-8-9-17(26-2)19(27-3)18(16)23/h4-9,12H,10-11H2,1-3H3
InChI Key:
LGHUSICQMVIHRT-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCCc1cn(c2c1ccc(c2OC)OC)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
668
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.121g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.453g/mol
Monoisotopic Mass:
400.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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