4-methyl-N-(3-methylbutyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-methyl-N-(3-methylbutyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
4-methyl-N-(3-methylbutyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | F594-0330 |
Compound Name: | 4-methyl-N-(3-methylbutyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
Molecular Weight: | 459.51 |
Molecular Formula: | C20 H31 N3 O2 |
Salt: | CF3COOH |
Smiles: | CC(C)CCN(CCC(N1CCNCC1)=O)C(c1ccc(C)cc1)=O |
Stereo: | ACHIRAL |
logP: | 1.7526 |
logD: | 0.9247 |
logSw: | -2.0479 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 44.759 |
InChI Key: | MHXBTHFTXITDQQ-UHFFFAOYSA-N |