1-[(2-chloro-4-fluorophenyl)methyl]-3-{[(3-methoxypropyl)amino]methyl}-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-3-{[(3-methoxypropyl)amino]methyl}-1H-indole-2-carboxylic acid
1-[(2-chloro-4-fluorophenyl)methyl]-3-{[(3-methoxypropyl)amino]methyl}-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | C753-2662 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-3-{[(3-methoxypropyl)amino]methyl}-1H-indole-2-carboxylic acid |
| Molecular Weight: | 404.87 |
| Molecular Formula: | C21 H22 Cl F N2 O3 |
| Smiles: | COCCCNCc1c2ccccc2n(Cc2ccc(cc2[Cl])F)c1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5875 |
| logD: | 3.5875 |
| logSw: | -3.7506 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.098 |
| InChI Key: | UNRCIXKOFDOPBS-UHFFFAOYSA-N |