ethyl 6-bromo-2-({[3-cyano-4,6-dimethyl-5-(prop-2-en-1-yl)pyridin-2-yl]sulfanyl}methyl)-5-hydroxy-1-methyl-1H-indole-3-carboxylate
Chemical Structure Depiction of
ethyl 6-bromo-2-({[3-cyano-4,6-dimethyl-5-(prop-2-en-1-yl)pyridin-2-yl]sulfanyl}methyl)-5-hydroxy-1-methyl-1H-indole-3-carboxylate
ethyl 6-bromo-2-({[3-cyano-4,6-dimethyl-5-(prop-2-en-1-yl)pyridin-2-yl]sulfanyl}methyl)-5-hydroxy-1-methyl-1H-indole-3-carboxylate
Compound characteristics
| Compound ID: | 8006-8376 |
| Compound Name: | ethyl 6-bromo-2-({[3-cyano-4,6-dimethyl-5-(prop-2-en-1-yl)pyridin-2-yl]sulfanyl}methyl)-5-hydroxy-1-methyl-1H-indole-3-carboxylate |
| Molecular Weight: | 514.44 |
| Molecular Formula: | C24 H24 Br N3 O3 S |
| Smiles: | CCOC(c1c2cc(c(cc2n(C)c1CSc1c(C#N)c(C)c(CC=C)c(C)n1)[Br])O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6727 |
| logD: | 5.644 |
| logSw: | -5.3389 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.441 |
| InChI Key: | CQJMHLRTWWYFDN-UHFFFAOYSA-N |