N-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0759 |
| Compound Name: | N-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 550.64 |
| Molecular Formula: | C22 H36 N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCN1CCCC1CN(CCC(N1CCNCC1)=O)S(c1cc(C)ccc1C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2365 |
| logD: | 0.4086 |
| logSw: | -2.3726 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.581 |
| InChI Key: | JTVVIRJUAJCZGE-HXUWFJFHSA-N |