4-oxo-2-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile
Chemical Structure Depiction of
4-oxo-2-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile
4-oxo-2-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8009-8233 |
| Compound Name: | 4-oxo-2-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile |
| Molecular Weight: | 433.48 |
| Molecular Formula: | C23 H19 N3 O4 S |
| Smiles: | C1CCC2(CC1)C(C#N)C(NC(=C2C#N)SCC(C1=Cc2ccccc2OC1=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5745 |
| logD: | 2.5557 |
| logSw: | -3.0274 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.389 |
| InChI Key: | TXRGIHKXYQWHIL-INIZCTEOSA-N |