N-[(4-ethylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzenesulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(4-ethylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzenesulfonamide--trifluoroacetic acid (1/1)
N-[(4-ethylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzenesulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0839 |
| Compound Name: | N-[(4-ethylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzenesulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 515.55 |
| Molecular Formula: | C21 H27 N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCc1ccc(CN(CC(N2CCNCC2)=O)S(c2ccccc2)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.1766 |
| logD: | 1.6171 |
| logSw: | -2.6728 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.695 |
| InChI Key: | FEXMODBVFZYTAP-UHFFFAOYSA-N |