2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-7-(o-tolyl)thieno[3,2-d]pyrimidin-4(3H)-one
AlkaPlorer ID: AK343096
Synonym: None
IUPAC Name: 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-7-(2-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
Structure
SMILES: CC1=CC=CC=C1C1=CSC2=C1N=C(N1CCC3(CC1)OCCO3)NC2=O
InChI: InChI=1S/C20H21N3O3S/c1-13-4-2-3-5-14(13)15-12-27-17-16(15)21-19(22-18(17)24)23-8-6-20(7-9-23)25-10-11-26-20/h2-5,12H,6-11H2,1H3,(H,21,22,24)
InChIKey: BIFRVEIIQMUMLU-UHFFFAOYSA-N
Reference
Bioactive Neolignans and Lignans from the Bark of <i>Machilus robusta</i>
PubChem CID: 136011434
Source
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Properties Information
Molecule Weight: 383.4730000000002
TPSA？: 67.45
MolLogP？: 3.303320000000001
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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