ethyl 4-(4-bromo-5-methylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-bromo-5-methylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 4-(4-bromo-5-methylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 3830-0822 |
| Compound Name: | ethyl 4-(4-bromo-5-methylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 438.38 |
| Molecular Formula: | C20 H24 Br N O3 S |
| Smiles: | CCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1cc(c(C)s1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.791 |
| logD: | 0.3514 |
| logSw: | -4.5399 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.693 |
| InChI Key: | FXXBCVYFSRKPIL-SFHVURJKSA-N |