1-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-3-({[(4-methylphenyl)methyl]amino}methyl)-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-3-({[(4-methylphenyl)methyl]amino}methyl)-1H-indole-2-carboxylic acid
1-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-3-({[(4-methylphenyl)methyl]amino}methyl)-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E847-0434 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-3-({[(4-methylphenyl)methyl]amino}methyl)-1H-indole-2-carboxylic acid |
| Molecular Weight: | 450.94 |
| Molecular Formula: | C26 H24 Cl F N2 O2 |
| Smiles: | Cc1ccc(CNCc2c3ccc(C)cc3n(Cc3ccc(cc3[Cl])F)c2C(O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.9905 |
| logD: | 5.9905 |
| logSw: | -5.7508 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.642 |
| InChI Key: | KBTAJQWPKWBNTM-UHFFFAOYSA-N |