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820251-66-9 | Isoquinoline, 2,2'-(1,12-dioxo-1,12-dodecanediyl)bis[decahydro-
CAS No: 820251-66-9 Catalog No: AG005CMX MDL No:
Product Description
Catalog Number:
AG005CMX
Chemical Name:
Isoquinoline, 2,2'-(1,12-dioxo-1,12-dodecanediyl)bis[decahydro-
CAS Number:
820251-66-9
Molecular Formula:
C30H52N2O2
Molecular Weight:
472.7461
IUPAC Name:
1,12-bis(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)dodecane-1,12-dione
InChI:
InChI=1S/C30H52N2O2/c33-29(31-21-19-25-13-9-11-15-27(25)23-31)17-7-5-3-1-2-4-6-8-18-30(34)32-22-20-26-14-10-12-16-28(26)24-32/h25-28H,1-24H2
InChI Key:
XKCYUNLHLLETHQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2C(C1)CCCC2)CCCCCCCCCCC(=O)N1CCC2C(C1)CCCC2
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
472.403g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
472.758g/mol
Monoisotopic Mass:
472.403g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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