2-phenylethyl 2,7,7-trimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-phenylethyl 2,7,7-trimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-phenylethyl 2,7,7-trimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 3879-6009 |
| Compound Name: | 2-phenylethyl 2,7,7-trimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 435.58 |
| Molecular Formula: | C26 H29 N O3 S |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(C)s1)C(=O)OCCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.746 |
| logD: | 1.3063 |
| logSw: | -5.5051 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.716 |
| InChI Key: | VSMDTURROHSZGZ-DEOSSOPVSA-N |