methyl 4-{5-[(4-bromophenoxy)methyl]furan-2-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-{5-[(4-bromophenoxy)methyl]furan-2-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-{5-[(4-bromophenoxy)methyl]furan-2-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | Y500-7513 |
| Compound Name: | methyl 4-{5-[(4-bromophenoxy)methyl]furan-2-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 472.33 |
| Molecular Formula: | C23 H22 Br N O5 |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1ccc(COc2ccc(cc2)[Br])o1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7314 |
| logD: | 0.6832 |
| logSw: | -4.5926 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.164 |
| InChI Key: | PLAWROOGYFPMPC-QFIPXVFZSA-N |