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824968-38-9 | 1H-Pyrazolo[4,3-c]isoquinoline, 5-benzo[b]thien-2-yl-3-methyl-
CAS No: 824968-38-9 Catalog No: AG008J7C MDL No:
Product Description
Catalog Number:
AG008J7C
Chemical Name:
1H-Pyrazolo[4,3-c]isoquinoline, 5-benzo[b]thien-2-yl-3-methyl-
CAS Number:
824968-38-9
Molecular Formula:
C19H13N3S
Molecular Weight:
315.3916
IUPAC Name:
5-(1-benzothiophen-2-yl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline
InChI:
InChI=1S/C19H13N3S/c1-11-17-19(22-21-11)14-8-4-3-7-13(14)18(20-17)16-10-12-6-2-5-9-15(12)23-16/h2-10H,1H3,(H,21,22)
InChI Key:
LKBKMWZCVRYWKU-UHFFFAOYSA-N
SMILES:
Cc1n[nH]c2c1nc(c1cc3c(s1)cccc3)c1c2cccc1
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.083g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.394g/mol
Monoisotopic Mass:
315.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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