Ethyl 2-{[(2-oxo-1-oxaspiro[4.5]dec-4-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
AlkaPlorer ID: AK353172
Synonym: None
IUPAC Name: ethyl 2-[(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Structure
SMILES: CCOC(=O)C1=C(NC(=O)C2CC(=O)OC23CCCCC3)SC2=C1CCCC2
InChI: InChI=1S/C21H27NO5S/c1-2-26-20(25)17-13-8-4-5-9-15(13)28-19(17)22-18(24)14-12-16(23)27-21(14)10-6-3-7-11-21/h14H,2-12H2,1H3,(H,22,24)
InChIKey: CFNROUXGDAOCPY-UHFFFAOYSA-N
Reference
PubChem CID: 2912376
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 405.5160000000003
TPSA？: 81.7
MolLogP？: 4.008100000000003
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|