ethyl 2-[(benzylsulfanyl)methyl]-6-bromo-5-methoxy-1-methyl-1H-indole-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(benzylsulfanyl)methyl]-6-bromo-5-methoxy-1-methyl-1H-indole-3-carboxylate
ethyl 2-[(benzylsulfanyl)methyl]-6-bromo-5-methoxy-1-methyl-1H-indole-3-carboxylate
Compound characteristics
| Compound ID: | 8010-5778 |
| Compound Name: | ethyl 2-[(benzylsulfanyl)methyl]-6-bromo-5-methoxy-1-methyl-1H-indole-3-carboxylate |
| Molecular Weight: | 448.38 |
| Molecular Formula: | C21 H22 Br N O3 S |
| Smiles: | CCOC(c1c2cc(c(cc2n(C)c1CSCc1ccccc1)[Br])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3518 |
| logD: | 5.3518 |
| logSw: | -5.4742 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 30.1434 |
| InChI Key: | VKGCEDSUMGTQCE-UHFFFAOYSA-N |