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886362-22-7 | 1-(3,4-dimethoxyphenyl)-8,9-dimethoxy-3-phenylpyrrolo[2,1-a]isoquinoline
CAS No: 886362-22-7 Catalog No: AG00IRNH MDL No:MFCD08056693
Product Description
Catalog Number:
AG00IRNH
Chemical Name:
1-(3,4-dimethoxyphenyl)-8,9-dimethoxy-3-phenylpyrrolo[2,1-a]isoquinoline
CAS Number:
886362-22-7
Molecular Formula:
C28H25NO4
Molecular Weight:
439.5024
MDL Number:
MFCD08056693
IUPAC Name:
1-(3,4-dimethoxyphenyl)-8,9-dimethoxy-3-phenylpyrrolo[2,1-a]isoquinoline
InChI:
InChI=1S/C28H25NO4/c1-30-24-11-10-19(14-25(24)31-2)21-16-23(18-8-6-5-7-9-18)29-13-12-20-15-26(32-3)27(33-4)17-22(20)28(21)29/h5-17H,1-4H3
InChI Key:
SREZMASOWCYWFO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OC)c1cc(n2c1c1cc(OC)c(cc1cc2)OC)c1ccccc1
Properties
Complexity:
625
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.178g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
439.511g/mol
Monoisotopic Mass:
439.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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