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Home > Quinoline > 1269514-85-3
1269514-85-3 | 1,3(2H,4H)-Isoquinolinedione, 2-(phenylmethoxy)-4-(phenylmethyl)-
CAS No: 1269514-85-3 Catalog No: AG000WGU MDL No:
Product Description
Catalog Number:
AG000WGU
Chemical Name:
1,3(2H,4H)-Isoquinolinedione, 2-(phenylmethoxy)-4-(phenylmethyl)-
CAS Number:
1269514-85-3
Molecular Formula:
C23H19NO3
Molecular Weight:
357.4019
IUPAC Name:
4-benzyl-2-phenylmethoxy-4H-isoquinoline-1,3-dione
InChI:
InChI=1S/C23H19NO3/c25-22-20-14-8-7-13-19(20)21(15-17-9-3-1-4-10-17)23(26)24(22)27-16-18-11-5-2-6-12-18/h1-14,21H,15-16H2
InChI Key:
NIVPWHWNBBRSOX-UHFFFAOYSA-N
SMILES:
O=C1C(Cc2ccccc2)c2ccccc2C(=O)N1OCc1ccccc1
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.136g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.409g/mol
Monoisotopic Mass:
357.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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