ethyl 6-amino-5-cyano-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 6-amino-5-cyano-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate
ethyl 6-amino-5-cyano-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8002-7111 |
| Compound Name: | ethyl 6-amino-5-cyano-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate |
| Molecular Weight: | 476.55 |
| Molecular Formula: | C25 H24 N4 O4 S |
| Smiles: | CCOC(C1C(C(C#N)=C(N)OC=1CSc1c(C#N)c(C)cc(C)n1)c1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7273 |
| logD: | 3.7273 |
| logSw: | -4.292 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.523 |
| InChI Key: | NQCHGIQYURLIEH-NRFANRHFSA-N |