N-butyl-2-fluoro-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-butyl-2-fluoro-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
N-butyl-2-fluoro-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L126-0742 |
| Compound Name: | N-butyl-2-fluoro-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 485.5 |
| Molecular Formula: | C17 H26 F N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(CCS(N1CCNCC1)(=O)=O)C(c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.21 |
| logD: | 0.8654 |
| logSw: | -2.4457 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.244 |
| InChI Key: | KEMCQLCRUCTZRQ-UHFFFAOYSA-N |