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83658-10-0 | Isoquinoline,3,4-dihydro-3-[(4-methyl-1-piperazinyl)methyl]-1-phenyl-
CAS No: 83658-10-0 Catalog No: AG0056V9 MDL No:
Product Description
Catalog Number:
AG0056V9
Chemical Name:
Isoquinoline,3,4-dihydro-3-[(4-methyl-1-piperazinyl)methyl]-1-phenyl-
CAS Number:
83658-10-0
Molecular Formula:
C21H27N3O
Molecular Weight:
337.4586
IUPAC Name:
3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline
InChI:
InChI=1S/C21H25N3/c1-23-11-13-24(14-12-23)16-19-15-18-9-5-6-10-20(18)21(22-19)17-7-3-2-4-8-17/h2-10,19H,11-16H2,1H3
InChI Key:
SXZITRGKMWZNAX-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)CC1Cc2ccccc2C(=N1)c1ccccc1.O
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.205g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.452g/mol
Monoisotopic Mass:
319.205g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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