3-acetamido-N-[(2-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-acetamido-N-[(2-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
3-acetamido-N-[(2-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0045 |
| Compound Name: | 3-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(Nc1cccc(c1)C(N(CCC(N1CCNCC1)=O)Cc1ccccc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7637 |
| logD: | -0.0643 |
| logSw: | -2.0753 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.402 |
| InChI Key: | KVRTUBRBNWXDCB-UHFFFAOYSA-N |