3-{[(3-bromophenyl)methyl]sulfanyl}-2-cyano-N-[(furan-2-yl)methyl]-3-(2-methylanilino)prop-2-enamide
Chemical Structure Depiction of
3-{[(3-bromophenyl)methyl]sulfanyl}-2-cyano-N-[(furan-2-yl)methyl]-3-(2-methylanilino)prop-2-enamide
3-{[(3-bromophenyl)methyl]sulfanyl}-2-cyano-N-[(furan-2-yl)methyl]-3-(2-methylanilino)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0129 |
| Compound Name: | 3-{[(3-bromophenyl)methyl]sulfanyl}-2-cyano-N-[(furan-2-yl)methyl]-3-(2-methylanilino)prop-2-enamide |
| Molecular Weight: | 482.4 |
| Molecular Formula: | C23 H20 Br N3 O2 S |
| Smiles: | Cc1ccccc1N/C(=C(/C#N)C(NCc1ccco1)=O)SCc1cccc(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.5654 |
| logD: | 5.5587 |
| logSw: | -5.3554 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.451 |
| InChI Key: | JXXDRKXSVXAVRJ-UHFFFAOYSA-N |