methyl 4-(4-bromo-2,5-dimethoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-(4-bromo-2,5-dimethoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-(4-bromo-2,5-dimethoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | K813-0128 |
| Compound Name: | methyl 4-(4-bromo-2,5-dimethoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 518.43 |
| Molecular Formula: | C24 H24 Br N O5 S |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2cccs2)N1)c1cc(c(cc1OC)[Br])OC)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8031 |
| logD: | 0.4573 |
| logSw: | -4.6665 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.103 |
| InChI Key: | MSQOICRCMLBJKB-UHFFFAOYSA-N |