4-cyano-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylethyl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-cyano-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylethyl)benzamide--trifluoroacetic acid (1/1)
4-cyano-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylethyl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0345 |
| Compound Name: | 4-cyano-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylethyl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 504.51 |
| Molecular Formula: | C23 H26 N4 O2 |
| Salt: | CF3COOH |
| Smiles: | C(CN(CCc1ccccc1)C(c1ccc(C#N)cc1)=O)C(N1CCNCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.979 |
| logD: | 0.151 |
| logSw: | -1.6155 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.544 |
| InChI Key: | DMDNAPHUEIFQFH-UHFFFAOYSA-N |