Chartelline B
AlkaPlorer ID: AK000139
Synonym: None
IUPAC Name: (5E,13Z)-9,19,21-tribromo-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(22),18,20-octaen-3-one
Structure
SMILES: CC1(/C=C\C2=NC3=C(C24CC(=O)N4/C=C(\C5=C1NC(=N5)Br)/Cl)C(=CC(=C3)Br)Br)C
InChI: InChI=1S/C20H14Br3ClN4O/c1-19(2)4-3-13-20(15-10(22)5-9(21)6-12(15)25-13)7-14(29)28(20)8-11(24)16-17(19)27-18(23)26-16/h3-6,8H,7H2,1-2H3,(H,26,27)/b4-3-,11-8+
InChIKey: HMFWDXIIQSKMGY-PRTWDDKSSA-N
Reference
PubChem CID: 21587801
Source
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Properties Information
Molecule Weight: 601.524
TPSA？: 61.35
MolLogP？: 6.295700000000003
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 5
Activities Information
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