2,4,6-trimethyl-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[2-(pyrrolidin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2,4,6-trimethyl-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[2-(pyrrolidin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
2,4,6-trimethyl-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[2-(pyrrolidin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0101 |
| Compound Name: | 2,4,6-trimethyl-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[2-(pyrrolidin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 550.64 |
| Molecular Formula: | C22 H36 N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cc(C)c(c(C)c1)S(N(CCC(N1CCNCC1)=O)CCN1CCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6874 |
| logD: | 0.8594 |
| logSw: | -2.3159 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.001 |
| InChI Key: | QDRPNRXQYOYZTB-UHFFFAOYSA-N |