3-{4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Chemical Structure Depiction of
3-{4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
3-{4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y206-0085 |
| Compound Name: | 3-{4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid |
| Molecular Weight: | 372.42 |
| Molecular Formula: | C20 H24 N2 O5 |
| Smiles: | COc1cccc(CN2CCN(CC2)C(C2C(C3C=CC2O3)C(O)=O)=O)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.0463 |
| logD: | 1.0463 |
| logSw: | -1.6506 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.003 |
| InChI Key: | BGWXNYCWNDJRBT-UHFFFAOYSA-N |