N-butyl-3-(dimethylamino)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-butyl-3-(dimethylamino)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
N-butyl-3-(dimethylamino)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0725 |
| Compound Name: | N-butyl-3-(dimethylamino)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 474.52 |
| Molecular Formula: | C20 H32 N4 O2 |
| Salt: | CF3COOH |
| Smiles: | CCCCN(CCC(N1CCNCC1)=O)C(c1cccc(c1)N(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2587 |
| logD: | 0.4308 |
| logSw: | -2.173 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.564 |
| InChI Key: | KVHJJESBEUDYFP-UHFFFAOYSA-N |