4-ethoxy-N-[(4-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-ethoxy-N-[(4-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
4-ethoxy-N-[(4-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | F594-0176 |
Compound Name: | 4-ethoxy-N-[(4-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
Molecular Weight: | 523.55 |
Molecular Formula: | C24 H31 N3 O3 |
Salt: | CF3COOH |
Smiles: | CCOc1ccc(cc1)C(N(CCC(N1CCNCC1)=O)Cc1ccc(C)cc1)=O |
Stereo: | ACHIRAL |
logP: | 1.9002 |
logD: | 1.0722 |
logSw: | -2.461 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.633 |
InChI Key: | OWCAMILSFDYSOV-UHFFFAOYSA-N |