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1269514-88-6 | 1,3(2H,4H)-Isoquinolinedione, 4-(2-phenylethyl)-2-(phenylmethoxy)-
CAS No: 1269514-88-6 Catalog No: AG000WGT MDL No:
Product Description
Catalog Number:
AG000WGT
Chemical Name:
1,3(2H,4H)-Isoquinolinedione, 4-(2-phenylethyl)-2-(phenylmethoxy)-
CAS Number:
1269514-88-6
Molecular Formula:
C24H21NO3
Molecular Weight:
371.4284
IUPAC Name:
4-(2-phenylethyl)-2-phenylmethoxy-4H-isoquinoline-1,3-dione
InChI:
InChI=1S/C24H21NO3/c26-23-21-14-8-7-13-20(21)22(16-15-18-9-3-1-4-10-18)24(27)25(23)28-17-19-11-5-2-6-12-19/h1-14,22H,15-17H2
InChI Key:
VCSFLEYSJVECHV-UHFFFAOYSA-N
SMILES:
O=C1C(CCc2ccccc2)c2ccccc2C(=O)N1OCc1ccccc1
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.152g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.436g/mol
Monoisotopic Mass:
371.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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