methyl 2,7,7-trimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2,7,7-trimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 2,7,7-trimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | Y501-6775 |
| Compound Name: | methyl 2,7,7-trimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 345.46 |
| Molecular Formula: | C19 H23 N O3 S |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(C)s1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7978 |
| logD: | -0.6418 |
| logSw: | -4.1313 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.113 |
| InChI Key: | LEICLIPEAKWWBC-KRWDZBQOSA-N |