5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0768 |
| Compound Name: | 5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 587.06 |
| Molecular Formula: | C21 H33 Cl N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCN1CCCC1CN(CCC(N1CCNCC1)=O)S(c1cc(ccc1OC)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7561 |
| logD: | -0.0719 |
| logSw: | -2.7904 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.211 |
| InChI Key: | LEKSUGBLAZQURP-GOSISDBHSA-N |