ethyl 2-[(4-cyanophenoxy)methyl]-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-6-(pyridin-3-yl)-1H-indole-3-carboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 2-[(4-cyanophenoxy)methyl]-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-6-(pyridin-3-yl)-1H-indole-3-carboxylate--hydrogen chloride (1/1)
ethyl 2-[(4-cyanophenoxy)methyl]-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-6-(pyridin-3-yl)-1H-indole-3-carboxylate--hydrogen chloride (1/1)
Compound characteristics
Compound ID: | H027-0209C |
Compound Name: | ethyl 2-[(4-cyanophenoxy)methyl]-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-6-(pyridin-3-yl)-1H-indole-3-carboxylate--hydrogen chloride (1/1) |
Molecular Weight: | 521.02 |
Molecular Formula: | C28 H28 N4 O4 |
Salt: | HCl |
Smiles: | CCOC(c1c2c(CN(C)C)c(c(cc2n(C)c1COc1ccc(C#N)cc1)c1cccnc1)O)=O |
Stereo: | ACHIRAL |
logP: | 3.5185 |
logD: | 2.4271 |
logSw: | -3.8023 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 75.681 |
InChI Key: | TWRMODIYLDUKKF-UHFFFAOYSA-N |