4-cyano-N-[(3-methoxyphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-cyano-N-[(3-methoxyphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
4-cyano-N-[(3-methoxyphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F915-0483 |
| Compound Name: | 4-cyano-N-[(3-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: | COc1cccc(CN(CC(N2CCNCC2)=O)C(c2ccc(C#N)cc2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 0.7541 |
| logD: | 0.1946 |
| logSw: | -1.9299 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.131 |
| InChI Key: | MOLSYBCSCDXOGD-UHFFFAOYSA-N |