3-(butan-2-yl) 6-methyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Chemical Structure Depiction of
3-(butan-2-yl) 6-methyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
3-(butan-2-yl) 6-methyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | C142-0034 |
| Compound Name: | 3-(butan-2-yl) 6-methyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 491.97 |
| Molecular Formula: | C25 H30 Cl N O7 |
| Smiles: | CCC(C)OC(C1C(C2=C(CC(C)C(C2=O)C(=O)OC)NC=1C)c1cc(c(c(c1)[Cl])O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8904 |
| logD: | 1.0564 |
| logSw: | -4.5579 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.419 |
| InChI Key: | JKOJYISGDMYYBG-UHFFFAOYSA-N |