3-methyl-4-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}-1-oxaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
3-methyl-4-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}-1-oxaspiro[4.5]dec-3-en-2-one
3-methyl-4-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}-1-oxaspiro[4.5]dec-3-en-2-one
Compound characteristics
| Compound ID: | E686-0082 |
| Compound Name: | 3-methyl-4-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}-1-oxaspiro[4.5]dec-3-en-2-one |
| Molecular Weight: | 458.55 |
| Molecular Formula: | C25 H34 N2 O6 |
| Smiles: | CC1=C(C(N2CCN(CC2)Cc2ccc(c(c2OC)OC)OC)=O)C2(CCCCC2)OC1=O |
| Stereo: | ACHIRAL |
| logP: | 2.7541 |
| logD: | 2.1654 |
| logSw: | -2.8515 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.317 |
| InChI Key: | TYRHBHZUIJGGKA-UHFFFAOYSA-N |