ethyl 6-amino-4-(3-bromo-4-methoxyphenyl)-5-cyano-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 6-amino-4-(3-bromo-4-methoxyphenyl)-5-cyano-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate
ethyl 6-amino-4-(3-bromo-4-methoxyphenyl)-5-cyano-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8008-3357 |
| Compound Name: | ethyl 6-amino-4-(3-bromo-4-methoxyphenyl)-5-cyano-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate |
| Molecular Weight: | 555.45 |
| Molecular Formula: | C25 H23 Br N4 O4 S |
| Smiles: | CCOC(C1C(C(C#N)=C(N)OC=1CSc1c(C#N)c(C)cc(C)n1)c1ccc(c(c1)[Br])OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1561 |
| logD: | 4.1561 |
| logSw: | -4.5782 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.609 |
| InChI Key: | VFPXVUKQEGDRAO-OAQYLSRUSA-N |