4-chloro-N-[(4-fluorophenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-chloro-N-[(4-fluorophenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
4-chloro-N-[(4-fluorophenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F915-0512 |
| Compound Name: | 4-chloro-N-[(4-fluorophenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 503.88 |
| Molecular Formula: | C20 H21 Cl F N3 O2 |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCN1)C(CN(Cc1ccc(cc1)F)C(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6681 |
| logD: | 1.1086 |
| logSw: | -2.8104 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.531 |
| InChI Key: | VKQZRUCQMMCUFU-UHFFFAOYSA-N |