3-{[(3-bromophenyl)methyl]sulfanyl}-2-cyano-3-(3,4-dimethylanilino)prop-2-enamide
Chemical Structure Depiction of
3-{[(3-bromophenyl)methyl]sulfanyl}-2-cyano-3-(3,4-dimethylanilino)prop-2-enamide
3-{[(3-bromophenyl)methyl]sulfanyl}-2-cyano-3-(3,4-dimethylanilino)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0098 |
| Compound Name: | 3-{[(3-bromophenyl)methyl]sulfanyl}-2-cyano-3-(3,4-dimethylanilino)prop-2-enamide |
| Molecular Weight: | 416.34 |
| Molecular Formula: | C19 H18 Br N3 O S |
| Smiles: | Cc1ccc(cc1C)N/C(=C(/C#N)C(N)=O)SCc1cccc(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.7843 |
| logD: | 4.7825 |
| logSw: | -4.642 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.045 |
| InChI Key: | CEXTUQGAEVYFRK-UHFFFAOYSA-N |