ethyl 6-bromo-2-({[5-(but-2-en-1-yl)-3-cyano-4,6-dimethylpyridin-2-yl]sulfanyl}methyl)-5-hydroxy-1-methyl-1H-indole-3-carboxylate
Chemical Structure Depiction of
ethyl 6-bromo-2-({[5-(but-2-en-1-yl)-3-cyano-4,6-dimethylpyridin-2-yl]sulfanyl}methyl)-5-hydroxy-1-methyl-1H-indole-3-carboxylate
ethyl 6-bromo-2-({[5-(but-2-en-1-yl)-3-cyano-4,6-dimethylpyridin-2-yl]sulfanyl}methyl)-5-hydroxy-1-methyl-1H-indole-3-carboxylate
Compound characteristics
| Compound ID: | 8006-9371 |
| Compound Name: | ethyl 6-bromo-2-({[5-(but-2-en-1-yl)-3-cyano-4,6-dimethylpyridin-2-yl]sulfanyl}methyl)-5-hydroxy-1-methyl-1H-indole-3-carboxylate |
| Molecular Weight: | 528.47 |
| Molecular Formula: | C25 H26 Br N3 O3 S |
| Smiles: | CCOC(c1c2cc(c(cc2n(C)c1CSc1c(C#N)c(C)c(C/C=C/C)c(C)n1)[Br])O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2439 |
| logD: | 6.2152 |
| logSw: | -5.3715 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.441 |
| InChI Key: | FCXIPUKAFYOFSF-UHFFFAOYSA-N |