N-[(4-ethylphenyl)methyl]-3,4-difluoro-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(4-ethylphenyl)methyl]-3,4-difluoro-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
N-[(4-ethylphenyl)methyl]-3,4-difluoro-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F915-0988 |
| Compound Name: | N-[(4-ethylphenyl)methyl]-3,4-difluoro-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 515.48 |
| Molecular Formula: | C22 H25 F2 N3 O2 |
| Salt: | CF3COOH |
| Smiles: | CCc1ccc(CN(CC(N2CCNCC2)=O)C(c2ccc(c(c2)F)F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2673 |
| logD: | 1.7078 |
| logSw: | -2.8984 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.531 |
| InChI Key: | CJSKQBBGMVEMCW-UHFFFAOYSA-N |