5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0516 |
| Compound Name: | 5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 573.03 |
| Molecular Formula: | C20 H31 Cl N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCN1CCCC1CN(CC(N1CCNCC1)=O)S(c1cc(ccc1OC)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5716 |
| logD: | 0.0121 |
| logSw: | -2.7469 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.233 |
| InChI Key: | PDERDZLDLLMRNM-QGZVFWFLSA-N |