ethyl 5-hydroxy-4-({4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl}methyl)-1-methyl-2-[(phenylsulfanyl)methyl]-6-(pyridin-3-yl)-1H-indole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-hydroxy-4-({4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl}methyl)-1-methyl-2-[(phenylsulfanyl)methyl]-6-(pyridin-3-yl)-1H-indole-3-carboxylate
ethyl 5-hydroxy-4-({4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl}methyl)-1-methyl-2-[(phenylsulfanyl)methyl]-6-(pyridin-3-yl)-1H-indole-3-carboxylate
Compound characteristics
| Compound ID: | H027-0070 |
| Compound Name: | ethyl 5-hydroxy-4-({4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl}methyl)-1-methyl-2-[(phenylsulfanyl)methyl]-6-(pyridin-3-yl)-1H-indole-3-carboxylate |
| Molecular Weight: | 604.77 |
| Molecular Formula: | C33 H40 N4 O5 S |
| Smiles: | CCOC(c1c2c(CN3CCN(CC3)CCOCCO)c(c(cc2n(C)c1CSc1ccccc1)c1cccnc1)O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2113 |
| logD: | 3.0649 |
| logSw: | -3.5909 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.689 |
| InChI Key: | WZXJHFJIAYWSTP-UHFFFAOYSA-N |