N-[2-(dimethylamino)ethyl]-2,5-dimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[2-(dimethylamino)ethyl]-2,5-dimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[2-(dimethylamino)ethyl]-2,5-dimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0221 |
| Compound Name: | N-[2-(dimethylamino)ethyl]-2,5-dimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 542.57 |
| Molecular Formula: | C19 H32 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | CN(C)CCN(CCC(N1CCNCC1)=O)S(c1cc(ccc1OC)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.1716 |
| logD: | -0.9996 |
| logSw: | -2.3389 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.964 |
| InChI Key: | CRTABEJFULICMH-UHFFFAOYSA-N |