4-[5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)tetrazol-1-yl]-N-(2-phenylethyl)benzamide
AlkaPlorer ID: AK576324
Synonym: None
IUPAC Name: 4-[5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)tetrazol-1-yl]-N-(2-phenylethyl)benzamide
Structure
SMILES: COC1=C2OCOC2=CC2=C1C(C1=NN=NN1C1=CC=C(C(=O)NCCC3=CC=CC=C3)C=C1)N(C)CC2
InChI: InChI=1S/C28H28N6O4/c1-33-15-13-20-16-22-25(38-17-37-22)26(36-2)23(20)24(33)27-30-31-32-34(27)21-10-8-19(9-11-21)28(35)29-14-12-18-6-4-3-5-7-18/h3-11,16,24H,12-15,17H2,1-2H3,(H,29,35)
InChIKey: XYDGLNJMZSKRMM-UHFFFAOYSA-N
Reference
Ammolactone, a guaianolide from a medicinal plant, Ammodaucus leucotrichus
PubChem CID: 20105911
Source
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Properties Information
Molecule Weight: 512.5700000000003
TPSA？: 103.62999999999998
MolLogP？: 2.9494000000000016
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 6
Activities Information
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