propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(3-iodophenyl)-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-(3-iodophenyl)-4H-pyran-3-carboxylate
propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(3-iodophenyl)-4H-pyran-3-carboxylate
Compound characteristics
Compound ID: | 8003-4580 |
Compound Name: | propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(3-iodophenyl)-4H-pyran-3-carboxylate |
Molecular Weight: | 600.48 |
Molecular Formula: | C26 H25 I N4 O3 S |
Smiles: | CC(C)OC(C1C(C(C#N)=C(N)OC=1CSc1c(C#N)c(C)c(C)c(C)n1)c1cccc(c1)I)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.7572 |
logD: | 5.7572 |
logSw: | -5.5273 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 93.428 |
InChI Key: | NZEZHVCOIYKQQH-JOCHJYFZSA-N |