ethyl 4-{4-[(4-chloro-2-methylphenoxy)methyl]-5-methylthiophen-2-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 4-{4-[(4-chloro-2-methylphenoxy)methyl]-5-methylthiophen-2-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 4-{4-[(4-chloro-2-methylphenoxy)methyl]-5-methylthiophen-2-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | Y501-3751 |
| Compound Name: | ethyl 4-{4-[(4-chloro-2-methylphenoxy)methyl]-5-methylthiophen-2-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 514.08 |
| Molecular Formula: | C28 H32 Cl N O4 S |
| Smiles: | CCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1cc(COc2ccc(cc2C)[Cl])c(C)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.1037 |
| logD: | 2.6641 |
| logSw: | -6.3107 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.007 |
| InChI Key: | PNVIKXNOPUJVDI-SANMLTNESA-N |