4-(4-hydroxy-3-methoxy-5-nitrophenyl)-7-(thiophen-2-yl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Chemical Structure Depiction of
4-(4-hydroxy-3-methoxy-5-nitrophenyl)-7-(thiophen-2-yl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
4-(4-hydroxy-3-methoxy-5-nitrophenyl)-7-(thiophen-2-yl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Compound characteristics
| Compound ID: | C276-1626 |
| Compound Name: | 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-7-(thiophen-2-yl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione |
| Molecular Weight: | 414.44 |
| Molecular Formula: | C20 H18 N2 O6 S |
| Smiles: | COc1cc(cc(c1O)[N+]([O-])=O)C1CC(NC2CC(CC(C1=2)=O)c1cccs1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6575 |
| logD: | 1.5201 |
| logSw: | -3.0852 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.943 |
| InChI Key: | NXYZVWAPGPEXGW-UHFFFAOYSA-N |