N-[3-oxo-3-(piperazin-1-yl)propyl]-N-pentyl-4-(trifluoromethyl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[3-oxo-3-(piperazin-1-yl)propyl]-N-pentyl-4-(trifluoromethyl)benzamide--trifluoroacetic acid (1/1)
N-[3-oxo-3-(piperazin-1-yl)propyl]-N-pentyl-4-(trifluoromethyl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0412 |
| Compound Name: | N-[3-oxo-3-(piperazin-1-yl)propyl]-N-pentyl-4-(trifluoromethyl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 513.48 |
| Molecular Formula: | C20 H28 F3 N3 O2 |
| Salt: | CF3COOH |
| Smiles: | CCCCCN(CCC(N1CCNCC1)=O)C(c1ccc(cc1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5454 |
| logD: | 1.7174 |
| logSw: | -2.8191 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.759 |
| InChI Key: | YBDJWNWNDIDXTN-UHFFFAOYSA-N |