3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1-methyl-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1-methyl-1H-indole-2-carboxylic acid
3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1-methyl-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | C075-0098 |
| Compound Name: | 3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1-methyl-1H-indole-2-carboxylic acid |
| Molecular Weight: | 395.43 |
| Molecular Formula: | C22 H22 F N3 O3 |
| Smiles: | Cn1c(C(O)=O)c(CC(N2CCN(CC2)c2ccc(cc2)F)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 2.5659 |
| logD: | 0.0343 |
| logSw: | -2.3969 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.339 |
| InChI Key: | YPAWPWZWRXCGNJ-UHFFFAOYSA-N |