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Home > Indoles and Oxindole > 123613-02-5
123613-02-5 | 1H-Indole, 7-(3,4-dihydro-2H-pyrrol-5-yl)-4,6-dimethoxy-2,3-diphenyl-
CAS No: 123613-02-5 Catalog No: AG000KUR MDL No:
Product Description
Catalog Number:
AG000KUR
Chemical Name:
1H-Indole, 7-(3,4-dihydro-2H-pyrrol-5-yl)-4,6-dimethoxy-2,3-diphenyl-
CAS Number:
123613-02-5
Molecular Formula:
C26H24N2O2
Molecular Weight:
396.4810
IUPAC Name:
7-(3,4-dihydro-2H-pyrrol-5-yl)-4,6-dimethoxy-2,3-diphenyl-1H-indole
InChI:
InChI=1S/C26H24N2O2/c1-29-20-16-21(30-2)24-22(17-10-5-3-6-11-17)25(18-12-7-4-8-13-18)28-26(24)23(20)19-14-9-15-27-19/h3-8,10-13,16,28H,9,14-15H2,1-2H3
InChI Key:
KOZCDAHOPXHQDC-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(c2c1c(c1ccccc1)c([nH]2)c1ccccc1)C1=NCCC1
Properties
Complexity:
596
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.184g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
396.49g/mol
Monoisotopic Mass:
396.184g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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