4-fluoro-N-(3-phenylpropyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-fluoro-N-(3-phenylpropyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
4-fluoro-N-(3-phenylpropyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L126-0682 |
| Compound Name: | 4-fluoro-N-(3-phenylpropyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 547.57 |
| Molecular Formula: | C22 H28 F N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | C(Cc1ccccc1)CN(CCS(N1CCNCC1)(=O)=O)C(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0808 |
| logD: | 1.7361 |
| logSw: | -2.7386 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.972 |
| InChI Key: | QJLZVULWPCFKME-UHFFFAOYSA-N |