N-[(4-bromophenyl)methyl]-3,4-difluoro-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(4-bromophenyl)methyl]-3,4-difluoro-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
N-[(4-bromophenyl)methyl]-3,4-difluoro-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F915-1036 |
| Compound Name: | N-[(4-bromophenyl)methyl]-3,4-difluoro-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 566.32 |
| Molecular Formula: | C20 H20 Br F2 N3 O2 |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCN1)C(CN(Cc1ccc(cc1)[Br])C(c1ccc(c(c1)F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1705 |
| logD: | 1.611 |
| logSw: | -2.8871 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.531 |
| InChI Key: | JTXBFJUMGOEVJB-UHFFFAOYSA-N |