methyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
Compound ID: | 1630-0826 |
Compound Name: | methyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
Molecular Weight: | 358.35 |
Molecular Formula: | C18 H18 N2 O6 |
Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1ccc(c(c1)[N+]([O-])=O)O)C(=O)OC |
Stereo: | RACEMIC MIXTURE |
logP: | 2.6363 |
logD: | -1.2595 |
logSw: | -2.9786 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 94.724 |
InChI Key: | ULRZZRMGXUQMJV-INIZCTEOSA-N |