2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide
Chemical Structure Depiction of
2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide
2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide
Compound characteristics
| Compound ID: | K291-0046 |
| Compound Name: | 2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide |
| Molecular Weight: | 517.65 |
| Molecular Formula: | C29 H31 N3 O4 S |
| Smiles: | Cc1ccccc1CSC(=C(/C#N)C(NCCc1ccc(c(c1)OC)OC)=O)\Nc1cccc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 5.3667 |
| logD: | 5.3042 |
| logSw: | -5.3219 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.046 |
| InChI Key: | UEMFELLWVKXLLX-UHFFFAOYSA-N |