2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-1248 |
| Compound Name: | 2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 565.65 |
| Molecular Formula: | C22 H37 N5 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(C)c(c1)S(N(CCC(N1CCNCC1)=O)CCN1CCN(C)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3444 |
| logD: | -0.4836 |
| logSw: | -2.3357 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.111 |
| InChI Key: | SGKXLAKALDKXED-UHFFFAOYSA-N |