1-[(2-chloro-4-fluorophenyl)methyl]-3-({[(4-methoxyphenyl)methyl]amino}methyl)-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-3-({[(4-methoxyphenyl)methyl]amino}methyl)-1H-indole-2-carboxylic acid
1-[(2-chloro-4-fluorophenyl)methyl]-3-({[(4-methoxyphenyl)methyl]amino}methyl)-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | C753-2631 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-3-({[(4-methoxyphenyl)methyl]amino}methyl)-1H-indole-2-carboxylic acid |
| Molecular Weight: | 452.91 |
| Molecular Formula: | C25 H22 Cl F N2 O3 |
| Smiles: | COc1ccc(CNCc2c3ccccc3n(Cc3ccc(cc3[Cl])F)c2C(O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.04 |
| logD: | 5.04 |
| logSw: | -4.896 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.186 |
| InChI Key: | YRKFJXDRINUKIS-UHFFFAOYSA-N |