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27870-92-4 | 2-octadecyl-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione
CAS No: 27870-92-4 Catalog No: AG00C4YI MDL No:
Product Description
Catalog Number:
AG00C4YI
Chemical Name:
2-octadecyl-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione
CAS Number:
27870-92-4
IUPAC Name:
14-octadecyl-8-thia-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaene-13,15-dione
InChI:
InChI=1S/C36H45NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-37-35(38)29-23-22-28-27-20-17-18-21-31(27)40-32-25-24-30(36(37)39)33(29)34(28)32/h17-18,20-25H,2-16,19,26H2,1H3
InChI Key:
YDQLECBCTASDOZ-UHFFFAOYSA-N
Properties
Complexity:
800
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
555.317g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
555.821g/mol
Monoisotopic Mass:
555.317g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.8
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