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102301-79-1 | 4(1H)-Isoquinolinone, 3-(4-methylphenyl)-1,1-diphenyl-
CAS No: 102301-79-1 Catalog No: AG00076K MDL No:
Product Description
Catalog Number:
AG00076K
Chemical Name:
4(1H)-Isoquinolinone, 3-(4-methylphenyl)-1,1-diphenyl-
CAS Number:
102301-79-1
Molecular Formula:
C28H21NO
Molecular Weight:
387.4724
IUPAC Name:
3-(4-methylphenyl)-1,1-diphenylisoquinolin-4-one
InChI:
InChI=1S/C28H21NO/c1-20-16-18-21(19-17-20)26-27(30)24-14-8-9-15-25(24)28(29-26,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-19H,1H3
InChI Key:
ZJZFGYBKUQCSEQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1=NC(c2ccccc2)(c2ccccc2)c2c(C1=O)cccc2
Properties
Complexity:
613
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.162g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.482g/mol
Monoisotopic Mass:
387.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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