3-({[(4-ethylphenyl)methyl]amino}methyl)-1-[(3-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-({[(4-ethylphenyl)methyl]amino}methyl)-1-[(3-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid
3-({[(4-ethylphenyl)methyl]amino}methyl)-1-[(3-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E847-0287 |
| Compound Name: | 3-({[(4-ethylphenyl)methyl]amino}methyl)-1-[(3-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid |
| Molecular Weight: | 430.52 |
| Molecular Formula: | C27 H27 F N2 O2 |
| Smiles: | CCc1ccc(CNCc2c3ccc(C)cc3n(Cc3cccc(c3)F)c2C(O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7574 |
| logD: | 5.7574 |
| logSw: | -5.3994 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.642 |
| InChI Key: | XUHMIRQGSCWCEI-UHFFFAOYSA-N |