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96826-01-6 | 3-PHENYL-6-(PYRROLIDIN-1-YL)PYRIDAZINO[4,3-C]ISOQUINOLINE
CAS No: 96826-01-6 Catalog No: AG006OIQ MDL No:
Product Description
Catalog Number:
AG006OIQ
Chemical Name:
3-PHENYL-6-(PYRROLIDIN-1-YL)PYRIDAZINO[4,3-C]ISOQUINOLINE
CAS Number:
96826-01-6
Molecular Formula:
C21H18N4
Molecular Weight:
326.3944
IUPAC Name:
3-phenyl-6-pyrrolidin-1-ylpyridazino[4,3-c]isoquinoline
InChI:
InChI=1S/C21H18N4/c1-2-8-15(9-3-1)18-14-19-20(24-23-18)16-10-4-5-11-17(16)21(22-19)25-12-6-7-13-25/h1-5,8-11,14H,6-7,12-13H2
InChI Key:
FRXHUKCFBXGFBN-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1nnc2c(c1)nc(c1c2cccc1)N1CCCC1
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.153g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.403g/mol
Monoisotopic Mass:
326.153g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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