1-[(2-chloro-4-fluorophenyl)methyl]-3-{[(3-methylbutyl)amino]methyl}-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-3-{[(3-methylbutyl)amino]methyl}-1H-indole-2-carboxylic acid
1-[(2-chloro-4-fluorophenyl)methyl]-3-{[(3-methylbutyl)amino]methyl}-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | C753-2642 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-3-{[(3-methylbutyl)amino]methyl}-1H-indole-2-carboxylic acid |
| Molecular Weight: | 402.9 |
| Molecular Formula: | C22 H24 Cl F N2 O2 |
| Smiles: | CC(C)CCNCc1c2ccccc2n(Cc2ccc(cc2[Cl])F)c1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8591 |
| logD: | 4.8591 |
| logSw: | -4.5256 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.755 |
| InChI Key: | AXZQFDHINHWVCW-UHFFFAOYSA-N |