methyl 4-{4-[(4-chlorobenzoyl)oxy]-3-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-{4-[(4-chlorobenzoyl)oxy]-3-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-{4-[(4-chlorobenzoyl)oxy]-3-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 2326-3149 |
| Compound Name: | methyl 4-{4-[(4-chlorobenzoyl)oxy]-3-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 509.99 |
| Molecular Formula: | C28 H28 Cl N O6 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(c(c1)OC)OC(c1ccc(cc1)[Cl])=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.096 |
| logD: | 0.8088 |
| logSw: | -5.6805 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.19 |
| InChI Key: | VOSYOYIMCLKHNY-DEOSSOPVSA-N |