4-cyano-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-cyano-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-{3-[(propan-2-yl)oxy]propyl}benzamide--trifluoroacetic acid (1/1)
4-cyano-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-{3-[(propan-2-yl)oxy]propyl}benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0685 |
| Compound Name: | 4-cyano-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-{3-[(propan-2-yl)oxy]propyl}benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 500.52 |
| Molecular Formula: | C21 H30 N4 O3 |
| Salt: | CF3COOH |
| Smiles: | CC(C)OCCCN(CCC(N1CCNCC1)=O)C(c1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0843 |
| logD: | -0.7437 |
| logSw: | -1.6365 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.017 |
| InChI Key: | MQWRNLKHYSTDHV-UHFFFAOYSA-N |