3-[(benzylamino)methyl]-1-[(3-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-[(benzylamino)methyl]-1-[(3-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid
3-[(benzylamino)methyl]-1-[(3-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E847-0244 |
| Compound Name: | 3-[(benzylamino)methyl]-1-[(3-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C25 H23 F N2 O2 |
| Smiles: | Cc1ccc2c(CNCc3ccccc3)c(C(O)=O)n(Cc3cccc(c3)F)c2c1 |
| Stereo: | ACHIRAL |
| logP: | 4.8268 |
| logD: | 4.8268 |
| logSw: | -4.6279 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.642 |
| InChI Key: | OLOPQRMVUFJKHS-UHFFFAOYSA-N |