4-cyano-N-[(4-ethylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-cyano-N-[(4-ethylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
4-cyano-N-[(4-ethylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F915-0989 |
| Compound Name: | 4-cyano-N-[(4-ethylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 504.51 |
| Molecular Formula: | C23 H26 N4 O2 |
| Salt: | CF3COOH |
| Smiles: | CCc1ccc(CN(CC(N2CCNCC2)=O)C(c2ccc(C#N)cc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.6294 |
| logD: | 1.0699 |
| logSw: | -2.1711 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.587 |
| InChI Key: | OHYRSJBSFRNYRO-UHFFFAOYSA-N |