ethyl 2-[(benzenesulfonyl)methyl]-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-6-(pyridin-3-yl)-1H-indole-3-carboxylate--hydrogen chloride (1/2)
Chemical Structure Depiction of
ethyl 2-[(benzenesulfonyl)methyl]-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-6-(pyridin-3-yl)-1H-indole-3-carboxylate--hydrogen chloride (1/2)
ethyl 2-[(benzenesulfonyl)methyl]-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-6-(pyridin-3-yl)-1H-indole-3-carboxylate--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | H027-0132 |
| Compound Name: | ethyl 2-[(benzenesulfonyl)methyl]-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-6-(pyridin-3-yl)-1H-indole-3-carboxylate--hydrogen chloride (1/2) |
| Molecular Weight: | 580.53 |
| Molecular Formula: | C27 H29 N3 O5 S |
| Salt: | 2HCl |
| Smiles: | CCOC(c1c2c(CN(C)C)c(c(cc2n(C)c1CS(c1ccccc1)(=O)=O)c1cccnc1)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9722 |
| logD: | 1.8808 |
| logSw: | -3.4571 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.162 |
| InChI Key: | MFTZETFOLWIEQS-UHFFFAOYSA-N |