methyl [(3-cyano-4-oxo-1-thia-5-azaspiro[5.5]undec-2-en-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(3-cyano-4-oxo-1-thia-5-azaspiro[5.5]undec-2-en-2-yl)sulfanyl]acetate
methyl [(3-cyano-4-oxo-1-thia-5-azaspiro[5.5]undec-2-en-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 5190-0618 |
| Compound Name: | methyl [(3-cyano-4-oxo-1-thia-5-azaspiro[5.5]undec-2-en-2-yl)sulfanyl]acetate |
| Molecular Weight: | 312.41 |
| Molecular Formula: | C13 H16 N2 O3 S2 |
| Smiles: | COC(CSC1=C(C#N)C(NC2(CCCCC2)S1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1611 |
| logD: | 2.161 |
| logSw: | -2.4305 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.72 |
| InChI Key: | LDZXSQFIFVOBGA-UHFFFAOYSA-N |