N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-(propan-2-yl)benzenesulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-(propan-2-yl)benzenesulfonamide--trifluoroacetic acid (1/1)
N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-(propan-2-yl)benzenesulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0202 |
| Compound Name: | N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-(propan-2-yl)benzenesulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 439.45 |
| Molecular Formula: | C15 H23 N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)N(CC(N1CCNCC1)=O)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4895 |
| logD: | -0.07 |
| logSw: | -2.3783 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.749 |
| InChI Key: | MLYPQLLPQFJOKW-UHFFFAOYSA-N |