N-(3-methylbutyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]-4-(trifluoromethyl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-(3-methylbutyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]-4-(trifluoromethyl)benzamide--trifluoroacetic acid (1/1)
N-(3-methylbutyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]-4-(trifluoromethyl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | F594-0329 |
Compound Name: | N-(3-methylbutyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]-4-(trifluoromethyl)benzamide--trifluoroacetic acid (1/1) |
Molecular Weight: | 513.48 |
Molecular Formula: | C20 H28 F3 N3 O2 |
Salt: | CF3COOH |
Smiles: | CC(C)CCN(CCC(N1CCNCC1)=O)C(c1ccc(cc1)C(F)(F)F)=O |
Stereo: | ACHIRAL |
logP: | 2.202 |
logD: | 1.374 |
logSw: | -2.5724 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 44.759 |
InChI Key: | IPHHQBRFBPAVFL-UHFFFAOYSA-N |