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645417-77-2 | 1H-Pyrazolo[4,3-c]isoquinoline, 3-methyl-5-(2,4,6-trimethoxyphenyl)-
CAS No: 645417-77-2 Catalog No: AG00H5TG MDL No:
Product Description
Catalog Number:
AG00H5TG
Chemical Name:
1H-Pyrazolo[4,3-c]isoquinoline, 3-methyl-5-(2,4,6-trimethoxyphenyl)-
CAS Number:
645417-77-2
Molecular Formula:
C20H19N3O3
Molecular Weight:
349.3832
IUPAC Name:
3-methyl-5-(2,4,6-trimethoxyphenyl)-2H-pyrazolo[4,3-c]isoquinoline
InChI:
InChI=1S/C20H19N3O3/c1-11-18-20(23-22-11)14-8-6-5-7-13(14)19(21-18)17-15(25-3)9-12(24-2)10-16(17)26-4/h5-10H,1-4H3,(H,22,23)
InChI Key:
AWQPVDGLOXIRNF-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc(c1c1nc2c(C)n[nH]c2c2c1cccc2)OC
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.143g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.39g/mol
Monoisotopic Mass:
349.143g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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