ethyl 2-[(benzenesulfonyl)methyl]-5-hydroxy-1-methyl-4-[(methylamino)methyl]-6-(pyridin-3-yl)-1H-indole-3-carboxylate--hydrogen chloride (1/2)
Chemical Structure Depiction of
ethyl 2-[(benzenesulfonyl)methyl]-5-hydroxy-1-methyl-4-[(methylamino)methyl]-6-(pyridin-3-yl)-1H-indole-3-carboxylate--hydrogen chloride (1/2)
ethyl 2-[(benzenesulfonyl)methyl]-5-hydroxy-1-methyl-4-[(methylamino)methyl]-6-(pyridin-3-yl)-1H-indole-3-carboxylate--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | H027-0131 |
| Compound Name: | ethyl 2-[(benzenesulfonyl)methyl]-5-hydroxy-1-methyl-4-[(methylamino)methyl]-6-(pyridin-3-yl)-1H-indole-3-carboxylate--hydrogen chloride (1/2) |
| Molecular Weight: | 566.5 |
| Molecular Formula: | C26 H27 N3 O5 S |
| Salt: | 2HCl |
| Smiles: | CCOC(c1c2c(CNC)c(c(cc2n(C)c1CS(c1ccccc1)(=O)=O)c1cccnc1)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6111 |
| logD: | 0.6773 |
| logSw: | -3.04 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.249 |
| InChI Key: | FSXTWCLXGRVASJ-UHFFFAOYSA-N |