4-{[6-bromo-3-(ethoxycarbonyl)-5-hydroxy-1-methyl-1H-indol-2-yl]methyl}-4-methylmorpholin-4-ium
Chemical Structure Depiction of
4-{[6-bromo-3-(ethoxycarbonyl)-5-hydroxy-1-methyl-1H-indol-2-yl]methyl}-4-methylmorpholin-4-ium
4-{[6-bromo-3-(ethoxycarbonyl)-5-hydroxy-1-methyl-1H-indol-2-yl]methyl}-4-methylmorpholin-4-ium
Compound characteristics
| Compound ID: | 5926-0045 |
| Compound Name: | 4-{[6-bromo-3-(ethoxycarbonyl)-5-hydroxy-1-methyl-1H-indol-2-yl]methyl}-4-methylmorpholin-4-ium |
| Molecular Weight: | 539.21 |
| Molecular Formula: | C18 H24 Br N2 O4 |
| Salt: | I- |
| Smiles: | CCOC(c1c2cc(c(cc2n(C)c1C[N+]1(C)CCOCC1)[Br])O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.303 |
| logD: | 2.2742 |
| logSw: | -2.0861 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.648 |
| InChI Key: | OUMZDAFUYMQSQU-UHFFFAOYSA-O |