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72269-57-9 | 2-(1-Oxooctadecyl)-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione
CAS No: 72269-57-9 Catalog No: AG00FVKU MDL No:
Product Description
Catalog Number:
AG00FVKU
Chemical Name:
2-(1-Oxooctadecyl)-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione
CAS Number:
72269-57-9
IUPAC Name:
14-octadecanoyl-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/C36H43NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-32(38)37-35(39)28-23-22-27-26-19-17-18-20-30(26)41-31-25-24-29(36(37)40)33(28)34(27)31/h17-20,22-25H,2-16,21H2,1H3
InChI Key:
NJKOQURNMWMBBO-UHFFFAOYSA-N
Properties
Complexity:
875
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
569.296g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
569.804g/mol
Monoisotopic Mass:
569.296g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.1
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