11-[2-(7,8-dimethoxy-2-oxo-2,3-dihydro-1H-3-benzazepin-3-yl)acetyl]-7,11-diazatricyclo[7.3.1.0²,?]trideca-2,4-dien-6-one
AlkaPlorer ID: AK209917
Synonym: None
IUPAC Name: (1S,9R)-11-[2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Structure
SMILES: COC1=CC2=C(C=C1OC)CC(=O)N(CC(=O)N1C[C@H]3C[C@@H](C1)C1=CC=CC(=O)N1C3)C=C2
InChI: InChI=1S/C25H27N3O5/c1-32-21-9-17-6-7-26(24(30)11-18(17)10-22(21)33-2)15-25(31)27-12-16-8-19(14-27)20-4-3-5-23(29)28(20)13-16/h3-7,9-10,16,19H,8,11-15H2,1-2H3/t16-,19+/m1/s1
InChIKey: SILGKOKKPJMQDM-APWZRJJASA-N
Reference
Five rare C 32 sesquiterpene lactone dimers with anti-inflammation activity from Vladimiria souliei
PubChem CID: 75464643
Source
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Properties Information
Molecule Weight: 449.5070000000002
TPSA？: 81.08000000000001
MolLogP？: 1.8668
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 5
Activities Information
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