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824968-23-2 | 1H-Pyrazolo[4,3-c]isoquinoline, 5-cyclohexyl-3-methyl-1-(phenylmethyl)-
CAS No: 824968-23-2 Catalog No: AG004URR MDL No:
Product Description
Catalog Number:
AG004URR
Chemical Name:
1H-Pyrazolo[4,3-c]isoquinoline, 5-cyclohexyl-3-methyl-1-(phenylmethyl)-
CAS Number:
824968-23-2
Molecular Formula:
C24H25N3
Molecular Weight:
355.4754
IUPAC Name:
1-benzyl-5-cyclohexyl-3-methylpyrazolo[4,3-c]isoquinoline
InChI:
InChI=1S/C24H25N3/c1-17-22-24(27(26-17)16-18-10-4-2-5-11-18)21-15-9-8-14-20(21)23(25-22)19-12-6-3-7-13-19/h2,4-5,8-11,14-15,19H,3,6-7,12-13,16H2,1H3
InChI Key:
YMMQWXUGQKADRT-UHFFFAOYSA-N
SMILES:
Cc1nn(c2c1nc(C1CCCCC1)c1c2cccc1)Cc1ccccc1
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.205g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.485g/mol
Monoisotopic Mass:
355.205g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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