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1269514-89-7 | 1,3(2H,4H)-Isoquinolinedione, 2-(phenylmethoxy)-4-(3-phenylpropyl)-
CAS No: 1269514-89-7 Catalog No: AG000WGS MDL No:
Product Description
Catalog Number:
AG000WGS
Chemical Name:
1,3(2H,4H)-Isoquinolinedione, 2-(phenylmethoxy)-4-(3-phenylpropyl)-
CAS Number:
1269514-89-7
Molecular Formula:
C25H23NO3
Molecular Weight:
385.4550
IUPAC Name:
2-phenylmethoxy-4-(3-phenylpropyl)-4H-isoquinoline-1,3-dione
InChI:
InChI=1S/C25H23NO3/c27-24-22-16-8-7-15-21(22)23(17-9-14-19-10-3-1-4-11-19)25(28)26(24)29-18-20-12-5-2-6-13-20/h1-8,10-13,15-16,23H,9,14,17-18H2
InChI Key:
CDFQOBHLYFFUPP-UHFFFAOYSA-N
SMILES:
O=C1C(CCCc2ccccc2)c2ccccc2C(=O)N1OCc1ccccc1
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.168g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
385.463g/mol
Monoisotopic Mass:
385.168g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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