ethyl 4-(4-bromophenyl)-2,7,7-trimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-bromophenyl)-2,7,7-trimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
ethyl 4-(4-bromophenyl)-2,7,7-trimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 0633-0081 |
| Compound Name: | ethyl 4-(4-bromophenyl)-2,7,7-trimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate |
| Molecular Weight: | 416.31 |
| Molecular Formula: | C21 H22 Br N O3 |
| Smiles: | CCOC(c1c(c2ccc(cc2)[Br])c2C(CC(C)(C)Cc2nc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0762 |
| logD: | 5.0762 |
| logSw: | -5.0139 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.583 |
| InChI Key: | XMNRMQFXJZFIRG-UHFFFAOYSA-N |