1-[(2-chloro-4-fluorophenyl)methyl]-3-({[(4-ethoxyphenyl)methyl]amino}methyl)-6-methoxy-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-3-({[(4-ethoxyphenyl)methyl]amino}methyl)-6-methoxy-1H-indole-2-carboxylic acid
1-[(2-chloro-4-fluorophenyl)methyl]-3-({[(4-ethoxyphenyl)methyl]amino}methyl)-6-methoxy-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-0684 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-3-({[(4-ethoxyphenyl)methyl]amino}methyl)-6-methoxy-1H-indole-2-carboxylic acid |
| Molecular Weight: | 496.97 |
| Molecular Formula: | C27 H26 Cl F N2 O4 |
| Smiles: | CCOc1ccc(CNCc2c3ccc(cc3n(Cc3ccc(cc3[Cl])F)c2C(O)=O)OC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.519 |
| logD: | 5.519 |
| logSw: | -5.6227 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.31 |
| InChI Key: | WLVASRQNBQMPRC-UHFFFAOYSA-N |