2-cyano-3,3-bis[(2-methylpropyl)sulfanyl]-N-phenylprop-2-enamide
Chemical Structure Depiction of
2-cyano-3,3-bis[(2-methylpropyl)sulfanyl]-N-phenylprop-2-enamide
2-cyano-3,3-bis[(2-methylpropyl)sulfanyl]-N-phenylprop-2-enamide
Compound characteristics
| Compound ID: | K291-0233 |
| Compound Name: | 2-cyano-3,3-bis[(2-methylpropyl)sulfanyl]-N-phenylprop-2-enamide |
| Molecular Weight: | 348.53 |
| Molecular Formula: | C18 H24 N2 O S2 |
| Smiles: | CC(C)CSC(=C(C#N)C(Nc1ccccc1)=O)SCC(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.3139 |
| logD: | 5.2648 |
| logSw: | -5.2383 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.657 |
| InChI Key: | LVQVSCBFFBBFGH-UHFFFAOYSA-N |