ethyl 2-(4-oxo-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetate
AlkaPlorer ID: AK339381
Synonym: None
IUPAC Name: ethyl 2-(4-oxo-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetate
Structure
SMILES: C=CCN1C(SCC(=O)OCC)=NC2=C(C1=O)C1(CCCCC1)CC1=CC=CC=C12
InChI: InChI=1S/C24H28N2O3S/c1-3-14-26-22(28)20-21(25-23(26)30-16-19(27)29-4-2)18-11-7-6-10-17(18)15-24(20)12-8-5-9-13-24/h3,6-7,10-11H,1,4-5,8-9,12-16H2,2H3
InChIKey: AZQLBYHGOQKBSQ-UHFFFAOYSA-N
Reference
Metabolomics-Driven Discovery of Meroterpenoids from a Mussel-Derived <i>Penicillium ubiquetum</i>
PubChem CID: 1749682
Source
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Properties Information
Molecule Weight: 424.5660000000003
TPSA？: 61.190000000000005
MolLogP？: 4.5095000000000045
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 4
Activities Information
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