(oxolan-2-yl)methyl 4-[4-(acetyloxy)phenyl]-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
(oxolan-2-yl)methyl 4-[4-(acetyloxy)phenyl]-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
(oxolan-2-yl)methyl 4-[4-(acetyloxy)phenyl]-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 4568-7341 |
| Compound Name: | (oxolan-2-yl)methyl 4-[4-(acetyloxy)phenyl]-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 507.61 |
| Molecular Formula: | C28 H29 N O6 S |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2cccs2)N1)c1ccc(cc1)OC(C)=O)C(=O)OCC1CCCO1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6187 |
| logD: | -0.7271 |
| logSw: | -3.8317 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.931 |
| InChI Key: | HKBLEGXWTKSSFK-UHFFFAOYSA-N |