3-[(benzylamino)methyl]-1-[(2-chloro-4-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-[(benzylamino)methyl]-1-[(2-chloro-4-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxylic acid
3-[(benzylamino)methyl]-1-[(2-chloro-4-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-0643 |
| Compound Name: | 3-[(benzylamino)methyl]-1-[(2-chloro-4-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxylic acid |
| Molecular Weight: | 452.91 |
| Molecular Formula: | C25 H22 Cl F N2 O3 |
| Smiles: | COc1ccc2c(CNCc3ccccc3)c(C(O)=O)n(Cc3ccc(cc3[Cl])F)c2c1 |
| Stereo: | ACHIRAL |
| logP: | 5.15 |
| logD: | 5.15 |
| logSw: | -5.3284 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.186 |
| InChI Key: | GRTYDVBUVZNCCR-UHFFFAOYSA-N |