4-acetamido-N-[(4-bromophenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-acetamido-N-[(4-bromophenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
4-acetamido-N-[(4-bromophenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F915-1033 |
| Compound Name: | 4-acetamido-N-[(4-bromophenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 587.39 |
| Molecular Formula: | C22 H25 Br N4 O3 |
| Salt: | CF3COOH |
| Smiles: | CC(Nc1ccc(cc1)C(N(CC(N1CCNCC1)=O)Cc1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0794 |
| logD: | 0.5199 |
| logSw: | -1.9693 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.793 |
| InChI Key: | DBYUAKCZQZHIDC-UHFFFAOYSA-N |