N-[(4-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]-4-(trifluoromethyl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]-4-(trifluoromethyl)benzamide--trifluoroacetic acid (1/1)
N-[(4-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]-4-(trifluoromethyl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0193 |
| Compound Name: | N-[(4-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]-4-(trifluoromethyl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 547.5 |
| Molecular Formula: | C23 H26 F3 N3 O2 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(CN(CCC(N2CCNCC2)=O)C(c2ccc(cc2)C(F)(F)F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.404 |
| logD: | 1.576 |
| logSw: | -2.7136 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.509 |
| InChI Key: | LXEKRWWWGCNCPR-UHFFFAOYSA-N |