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72894-21-4 | 1H-Benz[de]isoquinoline-1,3(2H)-dione,6-ethoxy-7-methoxy-2-(phenylmethyl)-
CAS No: 72894-21-4 Catalog No: AG005E4F MDL No:
Product Description
Catalog Number:
AG005E4F
Chemical Name:
1H-Benz[de]isoquinoline-1,3(2H)-dione,6-ethoxy-7-methoxy-2-(phenylmethyl)-
CAS Number:
72894-21-4
Molecular Formula:
C22H19NO4
Molecular Weight:
361.3906
IUPAC Name:
2-benzyl-6-ethoxy-7-methoxybenzo[de]isoquinoline-1,3-dione
InChI:
InChI=1S/C22H19NO4/c1-3-27-18-12-10-16-19-15(9-11-17(26-2)20(18)19)21(24)23(22(16)25)13-14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3
InChI Key:
ZAGFAVZXMJYQOE-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c3c1c(OC)ccc3c(=O)n(c2=O)Cc1ccccc1
EC Number:
276-970-6
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.131g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.397g/mol
Monoisotopic Mass:
361.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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