3-chloro-4-fluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-chloro-4-fluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
3-chloro-4-fluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0020 |
| Compound Name: | 3-chloro-4-fluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 552.95 |
| Molecular Formula: | C21 H28 Cl F N4 O3 |
| Salt: | CF3COOH |
| Smiles: | C1CC(N(C1)CCCN(CCC(N1CCNCC1)=O)C(c1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.375 |
| logD: | -1.203 |
| logSw: | -2.6263 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62 |
| InChI Key: | CYCVSQKWADLWBC-UHFFFAOYSA-N |