2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethoxyanilino)-3-{[(3-fluorophenyl)methyl]sulfanyl}prop-2-enamide
Chemical Structure Depiction of
2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethoxyanilino)-3-{[(3-fluorophenyl)methyl]sulfanyl}prop-2-enamide
2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethoxyanilino)-3-{[(3-fluorophenyl)methyl]sulfanyl}prop-2-enamide
Compound characteristics
| Compound ID: | K291-0040 |
| Compound Name: | 2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethoxyanilino)-3-{[(3-fluorophenyl)methyl]sulfanyl}prop-2-enamide |
| Molecular Weight: | 535.64 |
| Molecular Formula: | C29 H30 F N3 O4 S |
| Smiles: | CCOc1ccccc1N/C(=C(/C#N)C(NCCc1ccc(c(c1)OC)OC)=O)SCc1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 5.0563 |
| logD: | 4.8998 |
| logSw: | -4.5749 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.014 |
| InChI Key: | VSMJGKGADUKZHL-UHFFFAOYSA-N |