methyl 4-{5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-{5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-{5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | Y509-0225 |
| Compound Name: | methyl 4-{5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 473.93 |
| Molecular Formula: | C25 H25 Cl F N O5 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(COc2ccc(cc2[Cl])F)o1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0019 |
| logD: | 0.5622 |
| logSw: | -5.1381 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.251 |
| InChI Key: | KBUCIHOQIHPDNQ-QHCPKHFHSA-N |