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824968-81-2 | 1H-Pyrazolo[4,3-c]isoquinoline, 3-methyl-5-(3-methyl-2-thienyl)-
CAS No: 824968-81-2 Catalog No: AG004ZFR MDL No:
Product Description
Catalog Number:
AG004ZFR
Chemical Name:
1H-Pyrazolo[4,3-c]isoquinoline, 3-methyl-5-(3-methyl-2-thienyl)-
CAS Number:
824968-81-2
Molecular Formula:
C16H13N3S
Molecular Weight:
279.3595
IUPAC Name:
3-methyl-5-(3-methylthiophen-2-yl)-2H-pyrazolo[4,3-c]isoquinoline
InChI:
InChI=1S/C16H13N3S/c1-9-7-8-20-16(9)15-12-6-4-3-5-11(12)14-13(17-15)10(2)18-19-14/h3-8H,1-2H3,(H,18,19)
InChI Key:
LMOQPLURROUONW-UHFFFAOYSA-N
SMILES:
Cc1ccsc1c1nc2c(C)n[nH]c2c2c1cccc2
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.083g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.361g/mol
Monoisotopic Mass:
279.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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