5-chloro-2-methoxy-N-(3-methylbutyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-chloro-2-methoxy-N-(3-methylbutyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
5-chloro-2-methoxy-N-(3-methylbutyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0296 |
| Compound Name: | 5-chloro-2-methoxy-N-(3-methylbutyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 531.98 |
| Molecular Formula: | C18 H28 Cl N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)CCN(CC(N1CCNCC1)=O)S(c1cc(ccc1OC)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8384 |
| logD: | 1.2789 |
| logSw: | -2.9822 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.576 |
| InChI Key: | ILLFLAVJWDFPEF-UHFFFAOYSA-N |