ethyl 5-[3-(azepan-1-yl)-2-hydroxypropoxy]-6-bromo-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[3-(azepan-1-yl)-2-hydroxypropoxy]-6-bromo-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
ethyl 5-[3-(azepan-1-yl)-2-hydroxypropoxy]-6-bromo-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
Compound characteristics
| Compound ID: | 5926-0006 |
| Compound Name: | ethyl 5-[3-(azepan-1-yl)-2-hydroxypropoxy]-6-bromo-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate |
| Molecular Weight: | 575.57 |
| Molecular Formula: | C28 H35 Br N2 O4 S |
| Smiles: | CCOC(c1c2cc(c(cc2n(C)c1CSc1ccccc1)[Br])OCC(CN1CCCCCC1)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0825 |
| logD: | 4.7347 |
| logSw: | -5.3243 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.782 |
| InChI Key: | FIEDSXNMYITJIU-FQEVSTJZSA-N |