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287102-80-1 | 3,3'-Biisoquinoline, 5,5',6,6',7,7',8,8'-octahydro-1,1'-bis(methylsulfonyl)-
CAS No: 287102-80-1 Catalog No: AG002W6X MDL No:
Product Description
Catalog Number:
AG002W6X
Chemical Name:
3,3'-Biisoquinoline, 5,5',6,6',7,7',8,8'-octahydro-1,1'-bis(methylsulfonyl)-
CAS Number:
287102-80-1
Molecular Formula:
C20H24N2O4S2
Molecular Weight:
420.5456
IUPAC Name:
1-methylsulfonyl-3-(1-methylsulfonyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-5,6,7,8-tetrahydroisoquinoline
InChI:
InChI=1S/C20H24N2O4S2/c1-27(23,24)19-15-9-5-3-7-13(15)11-17(21-19)18-12-14-8-4-6-10-16(14)20(22-18)28(2,25)26/h11-12H,3-10H2,1-2H3
InChI Key:
CNKBELNNPXLYDZ-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1nc(cc2c1CCCC2)c1cc2CCCCc2c(n1)S(=O)(=O)C
NSC Number:
705813
Properties
Complexity:
705
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.118g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.542g/mol
Monoisotopic Mass:
420.118g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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