3-benzyl 6-methyl 2,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Chemical Structure Depiction of
3-benzyl 6-methyl 2,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
3-benzyl 6-methyl 2,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | C142-0126 |
| Compound Name: | 3-benzyl 6-methyl 2,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 451.54 |
| Molecular Formula: | C25 H25 N O5 S |
| Smiles: | CC1CC2=C(C(C(=C(C)N2)C(=O)OCc2ccccc2)c2cccs2)C(C1C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0958 |
| logD: | 0.3667 |
| logSw: | -4.4354 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.87 |
| InChI Key: | RALJNBDTLUUGNV-UHFFFAOYSA-N |