(4-methoxyphenyl)methyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
(4-methoxyphenyl)methyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
(4-methoxyphenyl)methyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8014-3760 |
| Compound Name: | (4-methoxyphenyl)methyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 576.63 |
| Molecular Formula: | C30 H28 N2 O8 S |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2cccs2)N1)c1cc(c(c(c1)OC)O)[N+]([O-])=O)C(=O)OCc1ccc(cc1)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2089 |
| logD: | 1.1206 |
| logSw: | -5.0126 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.26 |
| InChI Key: | NWZXCVXQIKRQCP-UHFFFAOYSA-N |