4-acetamido-N-[(3-chlorophenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-acetamido-N-[(3-chlorophenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
4-acetamido-N-[(3-chlorophenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0991 |
| Compound Name: | 4-acetamido-N-[(3-chlorophenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 556.97 |
| Molecular Formula: | C23 H27 Cl N4 O3 |
| Salt: | CF3COOH |
| Smiles: | CC(Nc1ccc(cc1)C(N(CCC(N1CCNCC1)=O)Cc1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9645 |
| logD: | 0.1365 |
| logSw: | -2.5225 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.771 |
| InChI Key: | GPJWIWNPZLNCBC-UHFFFAOYSA-N |