N-[(2-chlorophenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]-4-(trifluoromethyl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]-4-(trifluoromethyl)benzamide--trifluoroacetic acid (1/1)
N-[(2-chlorophenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]-4-(trifluoromethyl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F915-0122 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]-4-(trifluoromethyl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 553.89 |
| Molecular Formula: | C21 H21 Cl F3 N3 O2 |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCN1)C(CN(Cc1ccccc1[Cl])C(c1ccc(cc1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6868 |
| logD: | 2.1273 |
| logSw: | -3.546 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.531 |
| InChI Key: | VMSBQQADOZUOOV-UHFFFAOYSA-N |