N-[(oxolan-2-yl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]-4-(trifluoromethyl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(oxolan-2-yl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]-4-(trifluoromethyl)benzamide--trifluoroacetic acid (1/1)
N-[(oxolan-2-yl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]-4-(trifluoromethyl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0387 |
| Compound Name: | N-[(oxolan-2-yl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]-4-(trifluoromethyl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 527.46 |
| Molecular Formula: | C20 H26 F3 N3 O3 |
| Salt: | CF3COOH |
| Smiles: | C1CC(CN(CCC(N2CCNCC2)=O)C(c2ccc(cc2)C(F)(F)F)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7319 |
| logD: | -0.0961 |
| logSw: | -1.6802 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.164 |
| InChI Key: | WRVIYDYYKSYTAS-QGZVFWFLSA-N |