3-({[(4-ethoxyphenyl)methyl]amino}methyl)-1-[(4-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-({[(4-ethoxyphenyl)methyl]amino}methyl)-1-[(4-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid
3-({[(4-ethoxyphenyl)methyl]amino}methyl)-1-[(4-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-1729 |
| Compound Name: | 3-({[(4-ethoxyphenyl)methyl]amino}methyl)-1-[(4-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C27 H27 F N2 O3 |
| Smiles: | CCOc1ccc(CNCc2c3ccc(C)cc3n(Cc3ccc(cc3)F)c2C(O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1026 |
| logD: | 5.1026 |
| logSw: | -4.8011 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.766 |
| InChI Key: | XRCDLZQWGNKEHI-UHFFFAOYSA-N |