3-[(benzylamino)methyl]-1-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-[(benzylamino)methyl]-1-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxylic acid
3-[(benzylamino)methyl]-1-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | C753-2620 |
| Compound Name: | 3-[(benzylamino)methyl]-1-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxylic acid |
| Molecular Weight: | 422.89 |
| Molecular Formula: | C24 H20 Cl F N2 O2 |
| Smiles: | C(c1ccccc1)NCc1c2ccccc2n(Cc2ccc(cc2[Cl])F)c1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0576 |
| logD: | 5.0576 |
| logSw: | -4.875 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.642 |
| InChI Key: | IRKUESKCLBWINU-UHFFFAOYSA-N |