pentyl 4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
pentyl 4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
pentyl 4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 1781-2005 |
| Compound Name: | pentyl 4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 441.57 |
| Molecular Formula: | C26 H35 N O5 |
| Smiles: | CCCCCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1ccc(c(c1)OCC)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1163 |
| logD: | 0.8291 |
| logSw: | -4.6018 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.727 |
| InChI Key: | DJCKEZFRDIUEGL-QHCPKHFHSA-N |