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138222-03-4 | Methanone, [3,5-diiodo-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-1H-indol-3-yl-
CAS No: 138222-03-4 Catalog No: AG0018BB MDL No:
Product Description
Catalog Number:
AG0018BB
Chemical Name:
Methanone, [3,5-diiodo-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-1H-indol-3-yl-
CAS Number:
138222-03-4
Molecular Formula:
C21H20I2N2O2
Molecular Weight:
586.2046
IUPAC Name:
[3,5-diiodo-4-(2-pyrrolidin-1-ylethoxy)phenyl]-(1H-indol-3-yl)methanone
InChI:
InChI=1S/C21H20I2N2O2/c22-17-11-14(20(26)16-13-24-19-6-2-1-5-15(16)19)12-18(23)21(17)27-10-9-25-7-3-4-8-25/h1-2,5-6,11-13,24H,3-4,7-10H2
InChI Key:
LMPNVMNZGRZSEJ-UHFFFAOYSA-N
SMILES:
Ic1cc(cc(c1OCCN1CCCC1)I)C(=O)c1c[nH]c2c1cccc2
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
585.961g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
586.212g/mol
Monoisotopic Mass:
585.961g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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