N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-N-[2-(piperazine-1-sulfonyl)ethyl]acetamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-N-[2-(piperazine-1-sulfonyl)ethyl]acetamide--trifluoroacetic acid (1/1)
N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-N-[2-(piperazine-1-sulfonyl)ethyl]acetamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L126-0504 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-N-[2-(piperazine-1-sulfonyl)ethyl]acetamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 547.57 |
| Molecular Formula: | C22 H28 F N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(CC(N(CCS(N2CCNCC2)(=O)=O)Cc2ccc(cc2)F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.9772 |
| logD: | 1.6325 |
| logSw: | -2.6878 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.466 |
| InChI Key: | VQJHRDLBAWFFOY-UHFFFAOYSA-N |