2-phenylethyl 4-(2H-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-phenylethyl 4-(2H-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-phenylethyl 4-(2H-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 4099-6614 |
| Compound Name: | 2-phenylethyl 4-(2H-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 537.61 |
| Molecular Formula: | C33 H31 N O6 |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2ccc(cc2)OC)N1)c1ccc2c(c1)OCO2)C(=O)OCCc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.4644 |
| logD: | 1.9841 |
| logSw: | -5.6918 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.085 |
| InChI Key: | XTOKWTPBUWQIBS-UHFFFAOYSA-N |