3-bromo-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-propylbenzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-bromo-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-propylbenzamide--trifluoroacetic acid (1/1)
3-bromo-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-propylbenzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F915-0635 |
| Compound Name: | 3-bromo-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-propylbenzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 482.3 |
| Molecular Formula: | C16 H22 Br N3 O2 |
| Salt: | CF3COOH |
| Smiles: | CCCN(CC(N1CCNCC1)=O)C(c1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 1.2284 |
| logD: | 0.6689 |
| logSw: | -2.2263 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.781 |
| InChI Key: | UBJPNIOUVQJDIJ-UHFFFAOYSA-N |