1-[(2-chloro-4-fluorophenyl)methyl]-3-({[(2,5-dimethoxyphenyl)methyl]amino}methyl)-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-3-({[(2,5-dimethoxyphenyl)methyl]amino}methyl)-1H-indole-2-carboxylic acid
1-[(2-chloro-4-fluorophenyl)methyl]-3-({[(2,5-dimethoxyphenyl)methyl]amino}methyl)-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E693-0548 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-3-({[(2,5-dimethoxyphenyl)methyl]amino}methyl)-1H-indole-2-carboxylic acid |
| Molecular Weight: | 482.94 |
| Molecular Formula: | C26 H24 Cl F N2 O4 |
| Smiles: | COc1ccc(c(CNCc2c3ccccc3n(Cc3ccc(cc3[Cl])F)c2C(O)=O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 5.223 |
| logD: | 5.223 |
| logSw: | -5.4114 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.817 |
| InChI Key: | PIVCHADEKJPRAD-UHFFFAOYSA-N |