(oxolan-2-yl)methyl 4-(5-bromo-2-methoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
(oxolan-2-yl)methyl 4-(5-bromo-2-methoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
(oxolan-2-yl)methyl 4-(5-bromo-2-methoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8012-2753 |
| Compound Name: | (oxolan-2-yl)methyl 4-(5-bromo-2-methoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 558.49 |
| Molecular Formula: | C27 H28 Br N O5 S |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2cccs2)N1)c1cc(ccc1OC)[Br])C(=O)OCC1CCCO1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2234 |
| logD: | 0.8776 |
| logSw: | -5.1141 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.811 |
| InChI Key: | RLWFXSKFFBTRMC-UHFFFAOYSA-N |