N-[(4-fluorophenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzenesulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzenesulfonamide--trifluoroacetic acid (1/1)
N-[(4-fluorophenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzenesulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0686 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzenesulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 519.51 |
| Molecular Formula: | C20 H24 F N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | C(CN(Cc1ccc(cc1)F)S(c1ccccc1)(=O)=O)C(N1CCNCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4607 |
| logD: | 0.6328 |
| logSw: | -2.4264 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.674 |
| InChI Key: | LMIFIERZJDFPBN-UHFFFAOYSA-N |