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89707-38-0 | Isoquinoline, 1-phenyl-3-[2-(1-piperazinyl)ethoxy]-
CAS No: 89707-38-0 Catalog No: AG0042EV MDL No:
Product Description
Catalog Number:
AG0042EV
Chemical Name:
Isoquinoline, 1-phenyl-3-[2-(1-piperazinyl)ethoxy]-
CAS Number:
89707-38-0
Molecular Formula:
C21H23N3O
Molecular Weight:
333.4268
IUPAC Name:
1-phenyl-3-(2-piperazin-1-ylethoxy)isoquinoline
InChI:
InChI=1S/C21H23N3O/c1-2-6-17(7-3-1)21-19-9-5-4-8-18(19)16-20(23-21)25-15-14-24-12-10-22-11-13-24/h1-9,16,22H,10-15H2
InChI Key:
QFORZKLRZDXUCU-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)CCOc1cc2ccccc2c(n1)c1ccccc1
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.184g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.435g/mol
Monoisotopic Mass:
333.184g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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