ethyl 2,7,7-trimethyl-4-(5-methyl-4-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 2,7,7-trimethyl-4-(5-methyl-4-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 2,7,7-trimethyl-4-(5-methyl-4-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8008-3370 |
| Compound Name: | ethyl 2,7,7-trimethyl-4-(5-methyl-4-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 404.48 |
| Molecular Formula: | C20 H24 N2 O5 S |
| Smiles: | CCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1cc(c(C)s1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0473 |
| logD: | -0.3923 |
| logSw: | -4.2464 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.774 |
| InChI Key: | XLNGUSVTMLHBHY-SFHVURJKSA-N |