2,5-dimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2,5-dimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
2,5-dimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0295 |
| Compound Name: | 2,5-dimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 513.53 |
| Molecular Formula: | C18 H29 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)N(CCC(N1CCNCC1)=O)S(c1cc(ccc1OC)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7064 |
| logD: | -0.1216 |
| logSw: | -2.4415 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.902 |
| InChI Key: | LMMZLKHWYHXIDZ-UHFFFAOYSA-N |