3-cyano-N-[(4-methoxyphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-cyano-N-[(4-methoxyphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
3-cyano-N-[(4-methoxyphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F915-1448 |
| Compound Name: | 3-cyano-N-[(4-methoxyphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 506.48 |
| Molecular Formula: | C22 H24 N4 O3 |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(CN(CC(N2CCNCC2)=O)C(c2cccc(C#N)c2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 0.5638 |
| logD: | 0.0043 |
| logSw: | -2.0735 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.131 |
| InChI Key: | ORGYPVOIMCFJCM-UHFFFAOYSA-N |