3-cyclopentyl 6-methyl 4-(3-hydroxy-4-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Chemical Structure Depiction of
3-cyclopentyl 6-methyl 4-(3-hydroxy-4-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
3-cyclopentyl 6-methyl 4-(3-hydroxy-4-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | C142-0225 |
| Compound Name: | 3-cyclopentyl 6-methyl 4-(3-hydroxy-4-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 469.53 |
| Molecular Formula: | C26 H31 N O7 |
| Smiles: | CC1CC2=C(C(C(=C(C)N2)C(=O)OC2CCCC2)c2ccc(c(c2)O)OC)C(C1C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4866 |
| logD: | -0.3474 |
| logSw: | -3.3919 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.622 |
| InChI Key: | MZAWYRBJJLNWCF-UHFFFAOYSA-N |