3-bromo-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-(2-phenylpropyl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-bromo-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-(2-phenylpropyl)benzamide--trifluoroacetic acid (1/1)
3-bromo-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-(2-phenylpropyl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F915-0539 |
| Compound Name: | 3-bromo-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-(2-phenylpropyl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 558.39 |
| Molecular Formula: | C22 H26 Br N3 O2 |
| Salt: | CF3COOH |
| Smiles: | CC(CN(CC(N1CCNCC1)=O)C(c1cccc(c1)[Br])=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9643 |
| logD: | 2.4048 |
| logSw: | -3.303 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.531 |
| InChI Key: | NHLWJJJBMLUAKZ-KRWDZBQOSA-N |