[4-(4-methoxyphenyl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl 4-bromo-1-ethyl-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
[4-(4-methoxyphenyl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl 4-bromo-1-ethyl-1H-pyrazole-3-carboxylate
[4-(4-methoxyphenyl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl 4-bromo-1-ethyl-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 6228-0506 |
| Compound Name: | [4-(4-methoxyphenyl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl 4-bromo-1-ethyl-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 503.44 |
| Molecular Formula: | C25 H31 Br N2 O4 |
| Smiles: | CCn1cc(c(C(=O)OCC23COC(C(C3C)C(C)=CC2C)c2ccc(cc2)OC)n1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4927 |
| logD: | 4.4927 |
| logSw: | -4.4149 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.497 |
| InChI Key: | XLECNXKQHXFGJN-UHFFFAOYSA-N |