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824968-49-2 | 1H-Pyrazolo[4,3-c]isoquinoline, 3-methyl-5-(3-methyl-2-benzofuranyl)-
CAS No: 824968-49-2 Catalog No: AG004URM MDL No:
Product Description
Catalog Number:
AG004URM
Chemical Name:
1H-Pyrazolo[4,3-c]isoquinoline, 3-methyl-5-(3-methyl-2-benzofuranyl)-
CAS Number:
824968-49-2
Molecular Formula:
C20H15N3O
Molecular Weight:
313.3526
IUPAC Name:
3-methyl-5-(3-methyl-1-benzofuran-2-yl)-2H-pyrazolo[4,3-c]isoquinoline
InChI:
InChI=1S/C20H15N3O/c1-11-13-7-5-6-10-16(13)24-20(11)19-15-9-4-3-8-14(15)18-17(21-19)12(2)22-23-18/h3-10H,1-2H3,(H,22,23)
InChI Key:
FAXORUTXPVLWHA-UHFFFAOYSA-N
SMILES:
Cc1c2ccccc2oc1c1nc2c(C)n[nH]c2c2c1cccc2
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.122g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.36g/mol
Monoisotopic Mass:
313.122g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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