3-{[(3-bromophenyl)methyl]sulfanyl}-2-cyano-3-(2-methylanilino)prop-2-enamide
Chemical Structure Depiction of
3-{[(3-bromophenyl)methyl]sulfanyl}-2-cyano-3-(2-methylanilino)prop-2-enamide
3-{[(3-bromophenyl)methyl]sulfanyl}-2-cyano-3-(2-methylanilino)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0097 |
| Compound Name: | 3-{[(3-bromophenyl)methyl]sulfanyl}-2-cyano-3-(2-methylanilino)prop-2-enamide |
| Molecular Weight: | 402.31 |
| Molecular Formula: | C18 H16 Br N3 O S |
| Smiles: | Cc1ccccc1N/C(=C(/C#N)C(N)=O)SCc1cccc(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.8512 |
| logD: | 3.8476 |
| logSw: | -4.0422 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 60.347 |
| InChI Key: | RBGCGOVAQFWWJE-UHFFFAOYSA-N |