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156953-95-6 | 1,20-Diazoniatricyclo[33.3.1.116,20]tetraconta-1(39),16,18,20(40),35,37-hexaene
CAS No: 156953-95-6 Catalog No: AG001P3V MDL No:
Product Description
Catalog Number:
AG001P3V
Chemical Name:
1,20-Diazoniatricyclo[33.3.1.116,20]tetraconta-1(39),16,18,20(40),35,37-hexaene
CAS Number:
156953-95-6
Molecular Formula:
C38H64N2++
Molecular Weight:
548.9282
IUPAC Name:
1,20-diazoniatricyclo[33.3.1.116,20]tetraconta-1(38),16(40),17,19,35(39),36-hexaene
InChI:
InChI=1S/C38H64N2/c1-3-7-11-15-19-23-31-39-33-26-30-38(36-39)28-22-18-14-10-6-2-4-8-12-16-20-24-32-40-34-25-29-37(35-40)27-21-17-13-9-5-1/h25-26,29-30,33-36H,1-24,27-28,31-32H2/q+2
InChI Key:
QGVTUVNUXZJECW-UHFFFAOYSA-N
SMILES:
C1CCCCCCC[n+]2cccc(c2)CCCCCCCCCCCCCC[n+]2cc(CCCCCC1)ccc2
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
548.507g/mol
Formal Charge:
2
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
548.944g/mol
Monoisotopic Mass:
548.507g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.2
Literature
| Title | Journal |
|---|---|
| Discovery of SCH446211 (SCH6): a new ketoamide inhibitor of the HCV NS3 serine protease and HCV subgenomic RNA replication. | Journal of medicinal chemistry 20060504 |
| Ingenamine G and cyclostellettamines G-I, K, and L from the new Brazilian species of marine sponge Pachychalina sp. | Journal of natural products 20041001 |
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