3-bromo-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(propan-2-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-bromo-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(propan-2-yl)benzamide--trifluoroacetic acid (1/1)
3-bromo-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(propan-2-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0216 |
| Compound Name: | 3-bromo-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(propan-2-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 496.32 |
| Molecular Formula: | C17 H24 Br N3 O2 |
| Salt: | CF3COOH |
| Smiles: | CC(C)N(CCC(N1CCNCC1)=O)C(c1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7004 |
| logD: | 0.8725 |
| logSw: | -2.2082 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.525 |
| InChI Key: | XHTTUUNODWWOMW-UHFFFAOYSA-N |