N-[(3-methylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzenesulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(3-methylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzenesulfonamide--trifluoroacetic acid (1/1)
N-[(3-methylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzenesulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0862 |
| Compound Name: | N-[(3-methylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzenesulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 501.52 |
| Molecular Formula: | C20 H25 N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(CN(CC(N2CCNCC2)=O)S(c2ccccc2)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.8926 |
| logD: | 1.3331 |
| logSw: | -2.8278 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.695 |
| InChI Key: | FKWIPRYUKDXKLG-UHFFFAOYSA-N |