Molecule

7-(2-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)thieno[3,2-d]pyrimidin-4(3H)-one

AlkaPlorer ID: AK488500

Synonym: None

IUPAC Name: 7-(2-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3H-thieno[3,2-d]pyrimidin-4-one

Structure

SMILES: O=C1NC(N2CCC3(CC2)OCCO3)=NC2=C1SC=C2C1=CC=CC=C1Cl

InChI: InChI=1S/C19H18ClN3O3S/c20-14-4-2-1-3-12(14)13-11-27-16-15(13)21-18(22-17(16)24)23-7-5-19(6-8-23)25-9-10-26-19/h1-4,11H,5-10H2,(H,21,22,24)

InChIKey: PHHHVQQVVXLMAL-UHFFFAOYSA-N

Reference

Bioactive triterpene glycosides from the fruit of Stauntonia hexaphylla and insights into the molecular mechanism of its inflammatory effects

PubChem CID: 136011435

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 403.8910000000001

TPSA？: 67.45

MolLogP？: 3.6483000000000025

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi