propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-phenyl-4H-pyran-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-phenyl-4H-pyran-3-carboxylate
propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-phenyl-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8003-4570 |
| Compound Name: | propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-phenyl-4H-pyran-3-carboxylate |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C26 H26 N4 O3 S |
| Smiles: | CC(C)OC(C1C(C(C#N)=C(N)OC=1CSc1c(C#N)c(C)c(C)c(C)n1)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7867 |
| logD: | 4.7867 |
| logSw: | -4.8699 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.428 |
| InChI Key: | COIOZQOOOWTTIW-QFIPXVFZSA-N |