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89652-24-4 | 3(2H)-Isoquinolinone, 1,4-dihydro-1-phenyl-2-(phenylmethyl)-
CAS No: 89652-24-4 Catalog No: AG0088TZ MDL No:
Product Description
Catalog Number:
AG0088TZ
Chemical Name:
3(2H)-Isoquinolinone, 1,4-dihydro-1-phenyl-2-(phenylmethyl)-
CAS Number:
89652-24-4
Molecular Formula:
C22H19NO
Molecular Weight:
313.3924
IUPAC Name:
2-benzyl-1-phenyl-1,4-dihydroisoquinolin-3-one
InChI:
InChI=1S/C22H19NO/c24-21-15-19-13-7-8-14-20(19)22(18-11-5-2-6-12-18)23(21)16-17-9-3-1-4-10-17/h1-14,22H,15-16H2
InChI Key:
LYVPCRGTXMQZSQ-UHFFFAOYSA-N
SMILES:
O=C1Cc2ccccc2C(N1Cc1ccccc1)c1ccccc1
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.147g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.4g/mol
Monoisotopic Mass:
313.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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