4-acetamido-N-[(2-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-acetamido-N-[(2-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
4-acetamido-N-[(2-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0031 |
| Compound Name: | 4-acetamido-N-[(2-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 552.55 |
| Molecular Formula: | C24 H30 N4 O4 |
| Salt: | CF3COOH |
| Smiles: | CC(Nc1ccc(cc1)C(N(CCC(N1CCNCC1)=O)Cc1ccccc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5469 |
| logD: | -0.281 |
| logSw: | -1.9042 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.402 |
| InChI Key: | BNPJZSAPCUUXQO-UHFFFAOYSA-N |