3-chloro-4-fluoro-N-[(4-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-chloro-4-fluoro-N-[(4-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
3-chloro-4-fluoro-N-[(4-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | F594-0191 |
Compound Name: | 3-chloro-4-fluoro-N-[(4-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
Molecular Weight: | 531.93 |
Molecular Formula: | C22 H25 Cl F N3 O2 |
Salt: | CF3COOH |
Smiles: | Cc1ccc(CN(CCC(N2CCNCC2)=O)C(c2ccc(c(c2)[Cl])F)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 1.9871 |
logD: | 1.1591 |
logSw: | -3.1579 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 44.509 |
InChI Key: | VGKIIYLZEVZDRM-UHFFFAOYSA-N |