2-cyano-N-[(furan-2-yl)methyl]-3,3-bis{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide
Chemical Structure Depiction of
2-cyano-N-[(furan-2-yl)methyl]-3,3-bis{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide
2-cyano-N-[(furan-2-yl)methyl]-3,3-bis{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide
Compound characteristics
| Compound ID: | K291-0210 |
| Compound Name: | 2-cyano-N-[(furan-2-yl)methyl]-3,3-bis{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide |
| Molecular Weight: | 448.61 |
| Molecular Formula: | C25 H24 N2 O2 S2 |
| Smiles: | Cc1ccccc1CSC(=C(C#N)C(NCc1ccco1)=O)SCc1ccccc1C |
| Stereo: | ACHIRAL |
| logP: | 7.0769 |
| logD: | 7.0692 |
| logSw: | -5.7238 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.185 |
| InChI Key: | USROBCBORRAITH-UHFFFAOYSA-N |