ethyl 5-(acetyloxy)-6-bromo-2-{[(3-cyano-5-ethyl-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-1-methyl-1H-indole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-(acetyloxy)-6-bromo-2-{[(3-cyano-5-ethyl-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-1-methyl-1H-indole-3-carboxylate
ethyl 5-(acetyloxy)-6-bromo-2-{[(3-cyano-5-ethyl-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-1-methyl-1H-indole-3-carboxylate
Compound characteristics
Compound ID: | 8009-5633 |
Compound Name: | ethyl 5-(acetyloxy)-6-bromo-2-{[(3-cyano-5-ethyl-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-1-methyl-1H-indole-3-carboxylate |
Molecular Weight: | 544.47 |
Molecular Formula: | C25 H26 Br N3 O4 S |
Smiles: | CCc1c(C)c(C#N)c(nc1C)SCc1c(C(=O)OCC)c2cc(c(cc2n1C)[Br])OC(C)=O |
Stereo: | ACHIRAL |
logP: | 5.6336 |
logD: | 5.6336 |
logSw: | -5.5137 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 69.731 |
InChI Key: | FMMLFGWOWMOPHQ-UHFFFAOYSA-N |