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23852-30-4 | 1H-Benzo[3,4]isothiochromeno[7,8,1-def]isoquinoline-1,3(2H)-dione, 1H-Thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione
CAS No: 23852-30-4 Catalog No: AG00CCJR MDL No:
Product Description
Catalog Number:
AG00CCJR
Chemical Name:
1H-Benzo[3,4]isothiochromeno[7,8,1-def]isoquinoline-1,3(2H)-dione, 1H-Thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione
CAS Number:
23852-30-4
IUPAC Name:
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/C18H9NO2S/c20-17-11-6-5-10-9-3-1-2-4-13(9)22-14-8-7-12(18(21)19-17)15(11)16(10)14/h1-8H,(H,19,20,21)
InChI Key:
OCOXAILSDCIMAH-UHFFFAOYSA-N
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.035g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.335g/mol
Monoisotopic Mass:
303.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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