ethyl 6-bromo-5-hydroxy-4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
Chemical Structure Depiction of
ethyl 6-bromo-5-hydroxy-4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
ethyl 6-bromo-5-hydroxy-4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
Compound characteristics
| Compound ID: | H027-0004 |
| Compound Name: | ethyl 6-bromo-5-hydroxy-4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate |
| Molecular Weight: | 562.53 |
| Molecular Formula: | C26 H32 Br N3 O4 S |
| Smiles: | CCOC(c1c2c(CN3CCN(CC3)CCO)c(c(cc2n(C)c1CSc1ccccc1)[Br])O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9388 |
| logD: | 3.6603 |
| logSw: | -4.2866 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.171 |
| InChI Key: | QUGPPKZOIQJFAI-UHFFFAOYSA-N |