3-chloro-4-fluoro-N-[3-(4-methylpiperidine-1-carbonyl)-4-(piperazin-1-yl)phenyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-chloro-4-fluoro-N-[3-(4-methylpiperidine-1-carbonyl)-4-(piperazin-1-yl)phenyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
3-chloro-4-fluoro-N-[3-(4-methylpiperidine-1-carbonyl)-4-(piperazin-1-yl)phenyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L268-0738 |
| Compound Name: | 3-chloro-4-fluoro-N-[3-(4-methylpiperidine-1-carbonyl)-4-(piperazin-1-yl)phenyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 609.04 |
| Molecular Formula: | C23 H28 Cl F N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | CC1CCN(CC1)C(c1cc(ccc1N1CCNCC1)NS(c1ccc(c(c1)[Cl])F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3143 |
| logD: | 1.8387 |
| logSw: | -3.7356 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.648 |
| InChI Key: | BHABDTQAEQACKE-UHFFFAOYSA-N |