ethyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(3-fluorophenyl)-4H-pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(3-fluorophenyl)-4H-pyran-3-carboxylate
ethyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(3-fluorophenyl)-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8003-0344 |
| Compound Name: | ethyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(3-fluorophenyl)-4H-pyran-3-carboxylate |
| Molecular Weight: | 478.54 |
| Molecular Formula: | C25 H23 F N4 O3 S |
| Smiles: | CCOC(C1C(C(C#N)=C(N)OC=1CSc1c(C#N)c(C)c(C)c(C)n1)c1cccc(c1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4153 |
| logD: | 4.4153 |
| logSw: | -4.6185 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.749 |
| InChI Key: | ZEAAHFUYLWDJHL-NRFANRHFSA-N |