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5455-90-3 | 6-[(4ar,8as)-octahydroquinolin-1(2H)-ylsulfonyl]-1,2,3,4-tetrahydroquinoline
CAS No: 5455-90-3 Catalog No: AG0037AH MDL No:
Product Description
Catalog Number:
AG0037AH
Chemical Name:
6-[(4ar,8as)-octahydroquinolin-1(2H)-ylsulfonyl]-1,2,3,4-tetrahydroquinoline
CAS Number:
5455-90-3
Molecular Formula:
C18H26N2O2S
Molecular Weight:
334.4762
IUPAC Name:
6-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]-1,2,3,4-tetrahydroquinoline
InChI:
InChI=1S/C18H26N2O2S/c21-23(22,16-9-10-17-15(13-16)6-3-11-19-17)20-12-4-7-14-5-1-2-8-18(14)20/h9-10,13-14,18-19H,1-8,11-12H2/t14-,18+/m1/s1
InChI Key:
LECPJKATPJRAMB-KDOFPFPSSA-N
SMILES:
O=S(=O)(N1CCC[C@@H]2[C@@H]1CCCC2)c1ccc2c(c1)CCCN2
NSC Number:
5476
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
334.171g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.478g/mol
Monoisotopic Mass:
334.171g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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