ethyl 6-bromo-5-hydroxy-1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 6-bromo-5-hydroxy-1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate--hydrogen chloride (1/1)
ethyl 6-bromo-5-hydroxy-1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8018-2625 |
| Compound Name: | ethyl 6-bromo-5-hydroxy-1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate--hydrogen chloride (1/1) |
| Molecular Weight: | 568.96 |
| Molecular Formula: | C25 H30 Br N3 O3 S |
| Salt: | HCl |
| Smiles: | CCOC(c1c2c(CN3CCN(C)CC3)c(c(cc2n(C)c1CSc1ccccc1)[Br])O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3971 |
| logD: | 3.5982 |
| logSw: | -4.4807 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.201 |
| InChI Key: | SEEDMUGABJDEII-UHFFFAOYSA-N |