S-(prop-2-en-1-yl) 5-cyano-2,4-dioxo-3-azaspiro[5.5]undecane-1-carbothioate
Chemical Structure Depiction of
S-(prop-2-en-1-yl) 5-cyano-2,4-dioxo-3-azaspiro[5.5]undecane-1-carbothioate
S-(prop-2-en-1-yl) 5-cyano-2,4-dioxo-3-azaspiro[5.5]undecane-1-carbothioate
Compound characteristics
| Compound ID: | 8014-3784 |
| Compound Name: | S-(prop-2-en-1-yl) 5-cyano-2,4-dioxo-3-azaspiro[5.5]undecane-1-carbothioate |
| Molecular Weight: | 306.38 |
| Molecular Formula: | C15 H18 N2 O3 S |
| Smiles: | C=CCSC(C1C(NC(C(C#N)C12CCCCC2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3734 |
| logD: | -0.7806 |
| logSw: | -2.0475 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.158 |
| InChI Key: | SEJGOFFHGXWZTN-UHFFFAOYSA-N |