(4-methoxyphenyl)methyl 2,7,7-trimethyl-5-oxo-4-(4-oxo-4H-1-benzopyran-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
(4-methoxyphenyl)methyl 2,7,7-trimethyl-5-oxo-4-(4-oxo-4H-1-benzopyran-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
(4-methoxyphenyl)methyl 2,7,7-trimethyl-5-oxo-4-(4-oxo-4H-1-benzopyran-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 3004-4887 |
| Compound Name: | (4-methoxyphenyl)methyl 2,7,7-trimethyl-5-oxo-4-(4-oxo-4H-1-benzopyran-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 499.56 |
| Molecular Formula: | C30 H29 N O6 |
| Smiles: | CC1=C(C(C2=COc3ccccc3C2=O)C2=C(CC(C)(C)CC2=O)N1)C(=O)OCc1ccc(cc1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6249 |
| logD: | 0.4062 |
| logSw: | -4.8942 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.216 |
| InChI Key: | XTSKSCGALPXUKH-SANMLTNESA-N |