4-bromo-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-{3-[(propan-2-yl)oxy]propyl}benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-bromo-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-{3-[(propan-2-yl)oxy]propyl}benzamide--trifluoroacetic acid (1/1)
4-bromo-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-{3-[(propan-2-yl)oxy]propyl}benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0681 |
| Compound Name: | 4-bromo-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-{3-[(propan-2-yl)oxy]propyl}benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 554.4 |
| Molecular Formula: | C20 H30 Br N3 O3 |
| Salt: | CF3COOH |
| Smiles: | CC(C)OCCCN(CCC(N1CCNCC1)=O)C(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 1.2637 |
| logD: | 0.4358 |
| logSw: | -1.9261 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.96 |
| InChI Key: | IJVXMBOHGDEKPN-UHFFFAOYSA-N |