4-acetamido-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-{3-[(propan-2-yl)oxy]propyl}benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-acetamido-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-{3-[(propan-2-yl)oxy]propyl}benzamide--trifluoroacetic acid (1/1)
4-acetamido-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-{3-[(propan-2-yl)oxy]propyl}benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0683 |
| Compound Name: | 4-acetamido-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-{3-[(propan-2-yl)oxy]propyl}benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 532.56 |
| Molecular Formula: | C22 H34 N4 O4 |
| Salt: | CF3COOH |
| Smiles: | CC(C)OCCCN(CCC(N1CCNCC1)=O)C(c1ccc(cc1)NC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.369 |
| logD: | -1.1969 |
| logSw: | -1.5003 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.222 |
| InChI Key: | BLRLZSYXYIMVCA-UHFFFAOYSA-N |