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Home > Indoles and Oxindole > 882253-88-5
882253-88-5 | 1-[4-(1H-indol-4-yl)piperazino]-2-(2-methoxyphenyl)ethan-1-one
CAS No: 882253-88-5 Catalog No: AG01CASA MDL No:MFCD00830610
Product Description
Catalog Number:
AG01CASA
Chemical Name:
1-[4-(1H-indol-4-yl)piperazino]-2-(2-methoxyphenyl)ethan-1-one
CAS Number:
882253-88-5
Molecular Formula:
C21H23N3O2
Molecular Weight:
349.4262
MDL Number:
MFCD00830610
IUPAC Name:
1-[4-(1H-indol-4-yl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone
InChI:
InChI=1S/C21H23N3O2/c1-26-20-8-3-2-5-16(20)15-21(25)24-13-11-23(12-14-24)19-7-4-6-18-17(19)9-10-22-18/h2-10,22H,11-15H2,1H3
InChI Key:
XYPJULGSCOJNRK-UHFFFAOYSA-N
SMILES:
COc1ccccc1CC(=O)N1CCN(CC1)c1cccc2c1cc[nH]2
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.179g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.434g/mol
Monoisotopic Mass:
349.179g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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