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108779-09-5 | 1(2H)-Isoquinolinone, 3-(4-methoxyphenyl)-2-(phenylmethyl)-
CAS No: 108779-09-5 Catalog No: AG007TZU MDL No:
Product Description
Catalog Number:
AG007TZU
Chemical Name:
1(2H)-Isoquinolinone, 3-(4-methoxyphenyl)-2-(phenylmethyl)-
CAS Number:
108779-09-5
Molecular Formula:
C23H19NO2
Molecular Weight:
341.4025
IUPAC Name:
2-benzyl-3-(4-methoxyphenyl)isoquinolin-1-one
InChI:
InChI=1S/C23H19NO2/c1-26-20-13-11-18(12-14-20)22-15-19-9-5-6-10-21(19)23(25)24(22)16-17-7-3-2-4-8-17/h2-15H,16H2,1H3
InChI Key:
VYDPLUKXGFOGDH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc2ccccc2c(=O)n1Cc1ccccc1
NSC Number:
615120
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.142g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.41g/mol
Monoisotopic Mass:
341.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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