3-(butan-2-yl) 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-(butan-2-yl) 6-methyl 2,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
3-(butan-2-yl) 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: | C142-0245 |
| Compound Name: | 3-(butan-2-yl) 6-methyl 2,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 417.52 |
| Molecular Formula: | C22 H27 N O5 S |
| Smiles: | CCC(C)OC(C1C(C2=C(CC(C)C(C2=O)C(=O)OC)NC=1C)c1cccs1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2296 |
| logD: | 0.2432 |
| logSw: | -4.192 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.328 |
| InChI Key: | AVIXOVHIYMFHQP-UHFFFAOYSA-N |