3-methoxy-N-(3-methylbutyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-methoxy-N-(3-methylbutyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
3-methoxy-N-(3-methylbutyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0307 |
| Compound Name: | 3-methoxy-N-(3-methylbutyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 475.51 |
| Molecular Formula: | C20 H31 N3 O3 |
| Salt: | CF3COOH |
| Smiles: | CC(C)CCN(CCC(N1CCNCC1)=O)C(c1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3073 |
| logD: | 0.4794 |
| logSw: | -2.0538 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.303 |
| InChI Key: | AJRQIMTWXZCVLR-UHFFFAOYSA-N |