ethyl 4-(5-tert-butylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(5-tert-butylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 4-(5-tert-butylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8005-0370 |
| Compound Name: | ethyl 4-(5-tert-butylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 401.57 |
| Molecular Formula: | C23 H31 N O3 S |
| Smiles: | CCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1ccc(C(C)(C)C)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4145 |
| logD: | 0.9749 |
| logSw: | -5.4369 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.693 |
| InChI Key: | FLGGTXBRYCCAGS-FQEVSTJZSA-N |