3,4,5-trimethoxy-N-[(oxolan-2-yl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3,4,5-trimethoxy-N-[(oxolan-2-yl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
3,4,5-trimethoxy-N-[(oxolan-2-yl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0389 |
| Compound Name: | 3,4,5-trimethoxy-N-[(oxolan-2-yl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 549.54 |
| Molecular Formula: | C22 H33 N3 O6 |
| Salt: | CF3COOH |
| Smiles: | COc1cc(cc(c1OC)OC)C(N(CCC(N1CCNCC1)=O)CC1CCCO1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.4258 |
| logD: | -1.2538 |
| logSw: | -1.0591 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.142 |
| InChI Key: | GDYRJRDJCOLTLZ-QGZVFWFLSA-N |