2-chloro-N-[2-(piperazine-1-sulfonyl)ethyl]-N-[3-(piperidin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-chloro-N-[2-(piperazine-1-sulfonyl)ethyl]-N-[3-(piperidin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
2-chloro-N-[2-(piperazine-1-sulfonyl)ethyl]-N-[3-(piperidin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L126-0795 |
| Compound Name: | 2-chloro-N-[2-(piperazine-1-sulfonyl)ethyl]-N-[3-(piperidin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 571.06 |
| Molecular Formula: | C21 H33 Cl N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | C1CCN(CC1)CCCN(CCS(N1CCNCC1)(=O)=O)C(c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.111 |
| logD: | -1.1534 |
| logSw: | -2.9264 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.955 |
| InChI Key: | YFMZLEXWFYXLMP-UHFFFAOYSA-N |