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824968-87-8 | 1H-Pyrazolo[4,3-c]isoquinoline, 3-methyl-5-(3-thienyl)-
CAS No: 824968-87-8 Catalog No: AG00581D MDL No:
Product Description
Catalog Number:
AG00581D
Chemical Name:
1H-Pyrazolo[4,3-c]isoquinoline, 3-methyl-5-(3-thienyl)-
CAS Number:
824968-87-8
Molecular Formula:
C15H11N3S
Molecular Weight:
265.3329
IUPAC Name:
3-methyl-5-thiophen-3-yl-2H-pyrazolo[4,3-c]isoquinoline
InChI:
InChI=1S/C15H11N3S/c1-9-13-15(18-17-9)12-5-3-2-4-11(12)14(16-13)10-6-7-19-8-10/h2-8H,1H3,(H,17,18)
InChI Key:
MKRZLQGQQLGZSZ-UHFFFAOYSA-N
SMILES:
Cc1n[nH]c2c1nc(c1cscc1)c1c2cccc1
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.334g/mol
Monoisotopic Mass:
265.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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