N-benzyl-2-cyano-3,3-bis[(3-methylbutyl)sulfanyl]prop-2-enamide
Chemical Structure Depiction of
N-benzyl-2-cyano-3,3-bis[(3-methylbutyl)sulfanyl]prop-2-enamide
N-benzyl-2-cyano-3,3-bis[(3-methylbutyl)sulfanyl]prop-2-enamide
Compound characteristics
| Compound ID: | K291-0232 |
| Compound Name: | N-benzyl-2-cyano-3,3-bis[(3-methylbutyl)sulfanyl]prop-2-enamide |
| Molecular Weight: | 390.61 |
| Molecular Formula: | C21 H30 N2 O S2 |
| Smiles: | CC(C)CCSC(=C(C#N)C(NCc1ccccc1)=O)SCCC(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.7609 |
| logD: | 5.7443 |
| logSw: | -5.4654 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.979 |
| InChI Key: | YKOIKFYDGHWUSY-UHFFFAOYSA-N |