(oxolan-2-yl)methyl 2-methyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
(oxolan-2-yl)methyl 2-methyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
(oxolan-2-yl)methyl 2-methyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 4323-7135 |
| Compound Name: | (oxolan-2-yl)methyl 2-methyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 531.63 |
| Molecular Formula: | C30 H29 N O6 S |
| Smiles: | CC1=C(C(C2=COc3ccc(C)cc3C2=O)C2=C(CC(CC2=O)c2cccs2)N1)C(=O)OCC1CCCO1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2917 |
| logD: | -0.2431 |
| logSw: | -4.3153 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.073 |
| InChI Key: | SMMNKVVVHMAHFE-UHFFFAOYSA-N |