methyl 4-[2,5-dioxo-7-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinolin-4-yl]benzoate
Chemical Structure Depiction of
methyl 4-[2,5-dioxo-7-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinolin-4-yl]benzoate
methyl 4-[2,5-dioxo-7-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinolin-4-yl]benzoate
Compound characteristics
| Compound ID: | C276-1164 |
| Compound Name: | methyl 4-[2,5-dioxo-7-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinolin-4-yl]benzoate |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C21 H19 N O4 S |
| Smiles: | COC(c1ccc(cc1)C1CC(NC2CC(CC(C1=2)=O)c1cccs1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1906 |
| logD: | 2.0533 |
| logSw: | -3.2986 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.927 |
| InChI Key: | DJGRBQQGWRFCMK-UHFFFAOYSA-N |