N-ethyl-3,4-difluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-ethyl-3,4-difluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
N-ethyl-3,4-difluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0453 |
| Compound Name: | N-ethyl-3,4-difluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 439.38 |
| Molecular Formula: | C16 H21 F2 N3 O2 |
| Salt: | CF3COOH |
| Smiles: | CCN(CCC(N1CCNCC1)=O)C(c1ccc(c(c1)F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4146 |
| logD: | -0.4133 |
| logSw: | -2.0118 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.506 |
| InChI Key: | CJXZUWOPOGBHED-UHFFFAOYSA-N |