3-bromo-N-(2-methoxyethyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-bromo-N-(2-methoxyethyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
3-bromo-N-(2-methoxyethyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F915-0439 |
| Compound Name: | 3-bromo-N-(2-methoxyethyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 498.3 |
| Molecular Formula: | C16 H22 Br N3 O3 |
| Salt: | CF3COOH |
| Smiles: | COCCN(CC(N1CCNCC1)=O)C(c1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 0.3503 |
| logD: | -0.2092 |
| logSw: | -1.9397 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.123 |
| InChI Key: | LIJDMXIODPRRBI-UHFFFAOYSA-N |