3,3-bis(benzylsulfanyl)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
Chemical Structure Depiction of
3,3-bis(benzylsulfanyl)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
3,3-bis(benzylsulfanyl)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
Compound characteristics
| Compound ID: | K291-0208 |
| Compound Name: | 3,3-bis(benzylsulfanyl)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide |
| Molecular Weight: | 504.67 |
| Molecular Formula: | C28 H28 N2 O3 S2 |
| Smiles: | COc1ccc(CCNC(C(C#N)=C(SCc2ccccc2)SCc2ccccc2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.6215 |
| logD: | 4.6213 |
| logSw: | -4.4115 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.539 |
| InChI Key: | VPMPERYCKCOYNG-UHFFFAOYSA-N |