5-chloro-2-methoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-(2-phenylethyl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-chloro-2-methoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-(2-phenylethyl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
5-chloro-2-methoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-(2-phenylethyl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0342 |
| Compound Name: | 5-chloro-2-methoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-(2-phenylethyl)benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 566 |
| Molecular Formula: | C21 H26 Cl N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1S(N(CCc1ccccc1)CC(N1CCNCC1)=O)(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.9378 |
| logD: | 1.3783 |
| logSw: | -3.0356 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.304 |
| InChI Key: | YIAVNMBINVZFET-UHFFFAOYSA-N |