4-chloro-N-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-chloro-N-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
4-chloro-N-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0712 |
| Compound Name: | 4-chloro-N-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 465.9 |
| Molecular Formula: | C18 H26 Cl N3 O2 |
| Salt: | CF3COOH |
| Smiles: | CC(C)CN(CCC(N1CCNCC1)=O)C(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.5955 |
| logD: | 0.7675 |
| logSw: | -2.7862 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.781 |
| InChI Key: | OWVBBCBIJKIHNP-UHFFFAOYSA-N |