N-benzyl-3-bromo-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-benzyl-3-bromo-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
N-benzyl-3-bromo-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F915-0091 |
| Compound Name: | N-benzyl-3-bromo-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 530.34 |
| Molecular Formula: | C20 H22 Br N3 O2 |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCN1)C(CN(Cc1ccccc1)C(c1cccc(c1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8091 |
| logD: | 1.2496 |
| logSw: | -2.2822 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.531 |
| InChI Key: | UNUCCSIKRVFVGD-UHFFFAOYSA-N |