ethyl 5-(acetyloxy)-6-bromo-2-({[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl}methyl)-1-methyl-1H-indole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-(acetyloxy)-6-bromo-2-({[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl}methyl)-1-methyl-1H-indole-3-carboxylate
ethyl 5-(acetyloxy)-6-bromo-2-({[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl}methyl)-1-methyl-1H-indole-3-carboxylate
Compound characteristics
| Compound ID: | 8008-7781 |
| Compound Name: | ethyl 5-(acetyloxy)-6-bromo-2-({[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl}methyl)-1-methyl-1H-indole-3-carboxylate |
| Molecular Weight: | 544.47 |
| Molecular Formula: | C25 H26 Br N3 O4 S |
| Smiles: | CCOC(c1c2cc(c(cc2n(C)c1CSc1c(C#N)ccc(CC(C)C)n1)[Br])OC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.752 |
| logD: | 5.752 |
| logSw: | -5.5982 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.649 |
| InChI Key: | ARQVFVQJJTZICJ-UHFFFAOYSA-N |