N-[(4-bromophenyl)methyl]-4-cyano-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(4-bromophenyl)methyl]-4-cyano-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
N-[(4-bromophenyl)methyl]-4-cyano-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-1048 |
| Compound Name: | N-[(4-bromophenyl)methyl]-4-cyano-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 569.38 |
| Molecular Formula: | C22 H23 Br N4 O2 |
| Salt: | CF3COOH |
| Smiles: | C(CN(Cc1ccc(cc1)[Br])C(c1ccc(C#N)cc1)=O)C(N1CCNCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5962 |
| logD: | 0.7682 |
| logSw: | -2.088 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.566 |
| InChI Key: | VSLDMPWTUUHKBM-UHFFFAOYSA-N |