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89242-12-6 | Piperazine, 1-[(1-phenyl-3-isoquinolinyl)carbonyl]-
CAS No: 89242-12-6 Catalog No: AG00889R MDL No:
Product Description
Catalog Number:
AG00889R
Chemical Name:
Piperazine, 1-[(1-phenyl-3-isoquinolinyl)carbonyl]-
CAS Number:
89242-12-6
Molecular Formula:
C20H19N3O
Molecular Weight:
317.3844
IUPAC Name:
(1-phenylisoquinolin-3-yl)-piperazin-1-ylmethanone
InChI:
InChI=1S/C20H19N3O/c24-20(23-12-10-21-11-13-23)18-14-16-8-4-5-9-17(16)19(22-18)15-6-2-1-3-7-15/h1-9,14,21H,10-13H2
InChI Key:
NADHSBVKIOVQNC-UHFFFAOYSA-N
SMILES:
O=C(c1cc2ccccc2c(n1)c1ccccc1)N1CCNCC1
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.153g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.392g/mol
Monoisotopic Mass:
317.153g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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