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96825-91-1 | 3-(4-METHOXYPHENYL)-6-(PIPERIDIN-1-YL)-PYRIDAZINO[4,3-C]ISOQUINOLINE
CAS No: 96825-91-1 Catalog No: AG005ST8 MDL No:
Product Description
Catalog Number:
AG005ST8
Chemical Name:
3-(4-METHOXYPHENYL)-6-(PIPERIDIN-1-YL)-PYRIDAZINO[4,3-C]ISOQUINOLINE
CAS Number:
96825-91-1
Molecular Formula:
C23H22N4O
Molecular Weight:
370.4470
IUPAC Name:
3-(4-methoxyphenyl)-6-piperidin-1-ylpyridazino[4,3-c]isoquinoline
InChI:
InChI=1S/C23H22N4O/c1-28-17-11-9-16(10-12-17)20-15-21-22(26-25-20)18-7-3-4-8-19(18)23(24-21)27-13-5-2-6-14-27/h3-4,7-12,15H,2,5-6,13-14H2,1H3
InChI Key:
FODGRHOLEFBWMW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nnc2c(c1)nc(c1c2cccc1)N1CCCCC1
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.179g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.456g/mol
Monoisotopic Mass:
370.179g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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