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Home > Indoles and Oxindole > 112565-40-9
112565-40-9 | Benzamide, N-[4-oxo-4-[1-(phenylsulfonyl)-1H-indol-2-yl]butyl]-
CAS No: 112565-40-9 Catalog No: AG007ALK MDL No:
Product Description
Catalog Number:
AG007ALK
Chemical Name:
Benzamide, N-[4-oxo-4-[1-(phenylsulfonyl)-1H-indol-2-yl]butyl]-
CAS Number:
112565-40-9
Molecular Formula:
C25H22N2O4S
Molecular Weight:
446.5182
IUPAC Name:
N-[4-[1-(benzenesulfonyl)indol-2-yl]-4-oxobutyl]benzamide
InChI:
InChI=1S/C25H22N2O4S/c28-24(16-9-17-26-25(29)19-10-3-1-4-11-19)23-18-20-12-7-8-15-22(20)27(23)32(30,31)21-13-5-2-6-14-21/h1-8,10-15,18H,9,16-17H2,(H,26,29)
InChI Key:
LVDBKBQKIDUPPN-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)NCCCC(=O)c1cc2c(n1S(=O)(=O)c1ccccc1)cccc2
Properties
Complexity:
750
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.13g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
446.521g/mol
Monoisotopic Mass:
446.13g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
93.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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