3-bromo-N-cyclohexyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-bromo-N-cyclohexyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
3-bromo-N-cyclohexyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0618 |
| Compound Name: | 3-bromo-N-cyclohexyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 536.39 |
| Molecular Formula: | C20 H28 Br N3 O2 |
| Salt: | CF3COOH |
| Smiles: | C1CCC(CC1)N(CCC(N1CCNCC1)=O)C(c1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7209 |
| logD: | 1.893 |
| logSw: | -3.1119 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.754 |
| InChI Key: | MZRCIUWEAVTKSW-UHFFFAOYSA-N |