4-cyano-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylpropyl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-cyano-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylpropyl)benzamide--trifluoroacetic acid (1/1)
4-cyano-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylpropyl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | F594-0539 |
Compound Name: | 4-cyano-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylpropyl)benzamide--trifluoroacetic acid (1/1) |
Molecular Weight: | 518.54 |
Molecular Formula: | C24 H28 N4 O2 |
Salt: | CF3COOH |
Smiles: | CC(CN(CCC(N1CCNCC1)=O)C(c1ccc(C#N)cc1)=O)c1ccccc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 1.949 |
logD: | 1.121 |
logSw: | -2.367 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.566 |
InChI Key: | OVOLLCWDLQMNKH-IBGZPJMESA-N |