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102694-55-3 | 1,13-Dithia-4,10,16,22-tetraazacyclotetracosa-4,9,16,21-tetraene-7,19-dione, 5,9,17,21-tetramethyl-
CAS No: 102694-55-3 Catalog No: AG00085F MDL No:
Product Description
Catalog Number:
AG00085F
Chemical Name:
1,13-Dithia-4,10,16,22-tetraazacyclotetracosa-4,9,16,21-tetraene-7,19-dione, 5,9,17,21-tetramethyl-
CAS Number:
102694-55-3
Molecular Formula:
C22H36N4O2S2
Molecular Weight:
452.6768
IUPAC Name:
5,9,17,21-tetramethyl-1,13-dithia-4,10,16,22-tetrazacyclotetracosa-4,9,16,21-tetraene-7,19-dione
InChI:
InChI=1S/C22H36N4O2S2/c1-17-13-21(27)14-18(2)24-7-11-30-12-8-26-20(4)16-22(28)15-19(3)25-6-10-29-9-5-23-17/h5-16H2,1-4H3
InChI Key:
SQBFSNUSLVIVNZ-UHFFFAOYSA-N
SMILES:
O=C1CC(=NCCSCCN=C(C)CC(=O)CC(=NCCSCCN=C(C1)C)C)C
Properties
Complexity:
575
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.228g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
452.676g/mol
Monoisotopic Mass:
452.228g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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