4-bromo-N-(2-phenylethyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-bromo-N-(2-phenylethyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
4-bromo-N-(2-phenylethyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L126-0325 |
| Compound Name: | 4-bromo-N-(2-phenylethyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 594.45 |
| Molecular Formula: | C21 H26 Br N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | C(CN(CCS(N1CCNCC1)(=O)=O)C(c1ccc(cc1)[Br])=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2077 |
| logD: | 1.863 |
| logSw: | -2.7205 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.972 |
| InChI Key: | KKHNUQRATXSXNQ-UHFFFAOYSA-N |