ethyl 5-(acetyloxy)-6-bromo-2-{[(3-cyano-6-methylpyridin-2-yl)sulfanyl]methyl}-1-methyl-1H-indole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-(acetyloxy)-6-bromo-2-{[(3-cyano-6-methylpyridin-2-yl)sulfanyl]methyl}-1-methyl-1H-indole-3-carboxylate
ethyl 5-(acetyloxy)-6-bromo-2-{[(3-cyano-6-methylpyridin-2-yl)sulfanyl]methyl}-1-methyl-1H-indole-3-carboxylate
Compound characteristics
| Compound ID: | 8009-4653 |
| Compound Name: | ethyl 5-(acetyloxy)-6-bromo-2-{[(3-cyano-6-methylpyridin-2-yl)sulfanyl]methyl}-1-methyl-1H-indole-3-carboxylate |
| Molecular Weight: | 502.39 |
| Molecular Formula: | C22 H20 Br N3 O4 S |
| Smiles: | CCOC(c1c2cc(c(cc2n(C)c1CSc1c(C#N)ccc(C)n1)[Br])OC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4581 |
| logD: | 4.4581 |
| logSw: | -4.5121 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.961 |
| InChI Key: | JKKTYFSOYYVOEH-UHFFFAOYSA-N |