ethyl 5-(acetyloxy)-6-bromo-2-{[(6-butyl-3-cyanopyridin-2-yl)sulfanyl]methyl}-1-methyl-1H-indole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-(acetyloxy)-6-bromo-2-{[(6-butyl-3-cyanopyridin-2-yl)sulfanyl]methyl}-1-methyl-1H-indole-3-carboxylate
ethyl 5-(acetyloxy)-6-bromo-2-{[(6-butyl-3-cyanopyridin-2-yl)sulfanyl]methyl}-1-methyl-1H-indole-3-carboxylate
Compound characteristics
| Compound ID: | 8009-5631 |
| Compound Name: | ethyl 5-(acetyloxy)-6-bromo-2-{[(6-butyl-3-cyanopyridin-2-yl)sulfanyl]methyl}-1-methyl-1H-indole-3-carboxylate |
| Molecular Weight: | 544.47 |
| Molecular Formula: | C25 H26 Br N3 O4 S |
| Smiles: | CCCCc1ccc(C#N)c(n1)SCc1c(C(=O)OCC)c2cc(c(cc2n1C)[Br])OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9832 |
| logD: | 5.9832 |
| logSw: | -5.565 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.649 |
| InChI Key: | DLKKIROMBWVHJI-UHFFFAOYSA-N |