N-cyclopentyl-3,4,5-trimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-cyclopentyl-3,4,5-trimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
N-cyclopentyl-3,4,5-trimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0137 |
| Compound Name: | N-cyclopentyl-3,4,5-trimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 533.54 |
| Molecular Formula: | C22 H33 N3 O5 |
| Salt: | CF3COOH |
| Smiles: | COc1cc(cc(c1OC)OC)C(N(CCC(N1CCNCC1)=O)C1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0974 |
| logD: | 0.2694 |
| logSw: | -1.8876 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.098 |
| InChI Key: | GZYDXKXBWZFPOA-UHFFFAOYSA-N |