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845252-99-5 | 1(2H)-Isoquinolinone, 3,4-dihydro-5-(1-naphthalenyl)-2-(phenylmethyl)-
CAS No: 845252-99-5 Catalog No: AG008HVS MDL No:
Product Description
Catalog Number:
AG008HVS
Chemical Name:
1(2H)-Isoquinolinone, 3,4-dihydro-5-(1-naphthalenyl)-2-(phenylmethyl)-
CAS Number:
845252-99-5
Molecular Formula:
C26H21NO
Molecular Weight:
363.4510
IUPAC Name:
2-benzyl-5-naphthalen-1-yl-3,4-dihydroisoquinolin-1-one
InChI:
InChI=1S/C26H21NO/c28-26-25-15-7-14-23(22-13-6-11-20-10-4-5-12-21(20)22)24(25)16-17-27(26)18-19-8-2-1-3-9-19/h1-15H,16-18H2
InChI Key:
ATTNLHQXQKMLTN-UHFFFAOYSA-N
SMILES:
O=C1N(CCc2c1cccc2c1cccc2c1cccc2)Cc1ccccc1
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.162g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.46g/mol
Monoisotopic Mass:
363.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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