N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4-difluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4-difluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4-difluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0566 |
| Compound Name: | N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4-difluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 522.51 |
| Molecular Formula: | C21 H30 F2 N4 O2 |
| Salt: | CF3COOH |
| Smiles: | CCN1CCCC1CN(CCC(N1CCNCC1)=O)C(c1ccc(c(c1)F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4377 |
| logD: | -0.3902 |
| logSw: | -2.0159 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.416 |
| InChI Key: | ZANWKHRSJVFNMG-QGZVFWFLSA-N |