5-chloro-2-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylethyl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-chloro-2-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylethyl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
5-chloro-2-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylethyl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0483 |
| Compound Name: | 5-chloro-2-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylethyl)benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 580.02 |
| Molecular Formula: | C22 H28 Cl N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1S(N(CCC(N1CCNCC1)=O)CCc1ccccc1)(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.1413 |
| logD: | 1.3133 |
| logSw: | -3.2108 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.283 |
| InChI Key: | AGBOFICKSQQAFX-UHFFFAOYSA-N |