ethyl 6-amino-4-(2-bromophenyl)-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 6-amino-4-(2-bromophenyl)-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate
ethyl 6-amino-4-(2-bromophenyl)-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8003-0347 |
| Compound Name: | ethyl 6-amino-4-(2-bromophenyl)-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate |
| Molecular Weight: | 539.45 |
| Molecular Formula: | C25 H23 Br N4 O3 S |
| Smiles: | CCOC(C1C(C(C#N)=C(N)OC=1CSc1c(C#N)c(C)c(C)c(C)n1)c1ccccc1[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1 |
| logD: | 5.0999 |
| logSw: | -5.0749 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.749 |
| InChI Key: | RRGXENHXYIFCHE-OAQYLSRUSA-N |