3-({[(3-bromophenyl)methyl]amino}methyl)-1-[(4-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-({[(3-bromophenyl)methyl]amino}methyl)-1-[(4-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid
3-({[(3-bromophenyl)methyl]amino}methyl)-1-[(4-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-1737 |
| Compound Name: | 3-({[(3-bromophenyl)methyl]amino}methyl)-1-[(4-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid |
| Molecular Weight: | 481.36 |
| Molecular Formula: | C25 H22 Br F N2 O2 |
| Smiles: | Cc1ccc2c(CNCc3cccc(c3)[Br])c(C(O)=O)n(Cc3ccc(cc3)F)c2c1 |
| Stereo: | ACHIRAL |
| logP: | 5.4865 |
| logD: | 5.4865 |
| logSw: | -5.3998 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.642 |
| InChI Key: | AEAJYNKWUORIIV-UHFFFAOYSA-N |