ethyl 6-amino-5-cyano-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-iodophenyl)-4H-pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 6-amino-5-cyano-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-iodophenyl)-4H-pyran-3-carboxylate
ethyl 6-amino-5-cyano-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-iodophenyl)-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8002-7117 |
| Compound Name: | ethyl 6-amino-5-cyano-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-iodophenyl)-4H-pyran-3-carboxylate |
| Molecular Weight: | 572.42 |
| Molecular Formula: | C24 H21 I N4 O3 S |
| Smiles: | CCOC(C1C(C(C#N)=C(N)OC=1CSc1c(C#N)c(C)cc(C)n1)c1ccccc1I)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5839 |
| logD: | 4.5839 |
| logSw: | -4.6822 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.979 |
| InChI Key: | BHGPPNRVNYWWAA-HXUWFJFHSA-N |