Chartelline A
(5Z,13E)-9,19,20,21-tetrabromo-6-chloro-12,12-dimethyl-4,8,10,16-tetrazapentacyclo[13.7.0.01,4.07,11.017,22]docosa-5,7(11),8,13,15,17,19,21-octaen-3-one
Also Known As: Chartelline A|(S)-Chartelline A|(-)-Chartelline A|Methyl 4-pyridyl disulfide|(5Z,13E)-9,19,20,21-tetrabromo-6-chloro-12,12-dimethyl-4,8,10,16-tetrazapentacyclo(13.7.0.01,4.07,11.017,22)docosa-5,7(11),8,13,15,17,19,21-octaen-3-one|(5Z,13E)-9,19,20,21-tetrabromo-6-chloro-12,12-dimethyl-4,8,10,16-tetrazapentacyclo[13.7.0.01,4.07,11.017,22]docosa-5,7(11),8,13,15,17,19,21-octaen-3-one
| Molecular Formula | C20H13Br4ClN4O |
|---|---|
| Molecular Weight | 675.75116 g/mol |
| LogP | 7.0582 |
| Topological Polar Surface Area | 61.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 675.75116 |
| Monoisotopic Mass | 679.7471 |
| Heavy Atoms | 30 |
| Complexity | 1245.9165 |
Chemical Identifiers
| CAS Number | 96845-55-5 |
|---|---|
| SMILES | CC1(/C=C/C2=NC3=CC(=C(C(=C3C24CC(=O)N4/C=C(/C5=C1NC(=N5)Br)\Cl)Br)Br)Br)C |
Product Overview
Chartelline A (CAS 96845-55-5), with molecular formula C20H13Br4ClN4O and molecular weight 675.75116 g/mol. IUPAC: (5Z,13E)-9,19,20,21-tetrabromo-6-chloro-12,12-dimethyl-4,8,10,16-tetrazapentacyclo[13.7.0.01,4.07,11.017,22]docosa-5,7(11),8,13,15,17,19,21-octaen-3-one.
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