ethyl 5-(acetyloxy)-6-bromo-2-({[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-1-methyl-1H-indole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-(acetyloxy)-6-bromo-2-({[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-1-methyl-1H-indole-3-carboxylate
ethyl 5-(acetyloxy)-6-bromo-2-({[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-1-methyl-1H-indole-3-carboxylate
Compound characteristics
| Compound ID: | 8009-1006 |
| Compound Name: | ethyl 5-(acetyloxy)-6-bromo-2-({[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-1-methyl-1H-indole-3-carboxylate |
| Molecular Weight: | 570.38 |
| Molecular Formula: | C23 H19 Br F3 N3 O4 S |
| Smiles: | CCOC(c1c2cc(c(cc2n(C)c1CSc1c(C#N)c(cc(C)n1)C(F)(F)F)[Br])OC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1374 |
| logD: | 5.1374 |
| logSw: | -5.1727 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.961 |
| InChI Key: | QXIQJOJRBUPZFV-UHFFFAOYSA-N |