methyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 1630-0841 |
| Compound Name: | methyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 405.88 |
| Molecular Formula: | C21 H24 Cl N O5 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1cc(c(c(c1)[Cl])O)OC)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7501 |
| logD: | -0.537 |
| logSw: | -3.6694 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.205 |
| InChI Key: | FTJMQLYTODXGEZ-KRWDZBQOSA-N |