3,3-bis{[(4-tert-butylphenyl)methyl]sulfanyl}-2-cyano-N-[(furan-2-yl)methyl]prop-2-enamide
Chemical Structure Depiction of
3,3-bis{[(4-tert-butylphenyl)methyl]sulfanyl}-2-cyano-N-[(furan-2-yl)methyl]prop-2-enamide
3,3-bis{[(4-tert-butylphenyl)methyl]sulfanyl}-2-cyano-N-[(furan-2-yl)methyl]prop-2-enamide
Compound characteristics
| Compound ID: | K291-0211 |
| Compound Name: | 3,3-bis{[(4-tert-butylphenyl)methyl]sulfanyl}-2-cyano-N-[(furan-2-yl)methyl]prop-2-enamide |
| Molecular Weight: | 532.77 |
| Molecular Formula: | C31 H36 N2 O2 S2 |
| Smiles: | CC(C)(C)c1ccc(CSC(=C(C#N)C(NCc2ccco2)=O)SCc2ccc(cc2)C(C)(C)C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 8.5105 |
| logD: | 8.5027 |
| logSw: | -5.7727 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.185 |
| InChI Key: | XBGZXKVIMINJHZ-UHFFFAOYSA-N |