2-methylpropyl 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-methylpropyl 2,7,7-trimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-methylpropyl 2,7,7-trimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 4099-6624 |
| Compound Name: | 2-methylpropyl 2,7,7-trimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 387.54 |
| Molecular Formula: | C22 H29 N O3 S |
| Smiles: | CC(C)COC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1ccc(C)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9919 |
| logD: | 0.5523 |
| logSw: | -4.69 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.069 |
| InChI Key: | XVBWIKKCCJZGJB-FQEVSTJZSA-N |