4-cyano-N-[(3-ethoxyphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-cyano-N-[(3-ethoxyphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
4-cyano-N-[(3-ethoxyphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F915-1061 |
| Compound Name: | 4-cyano-N-[(3-ethoxyphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 520.51 |
| Molecular Formula: | C23 H26 N4 O3 |
| Salt: | CF3COOH |
| Smiles: | CCOc1cccc(CN(CC(N2CCNCC2)=O)C(c2ccc(C#N)cc2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.1416 |
| logD: | 0.5821 |
| logSw: | -2.1149 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.711 |
| InChI Key: | VJWSSVDEFLXJBX-UHFFFAOYSA-N |