propan-2-yl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
propan-2-yl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
Compound ID: | 5991-0146 |
Compound Name: | propan-2-yl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
Molecular Weight: | 414.46 |
Molecular Formula: | C22 H26 N2 O6 |
Smiles: | CC(C)OC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1ccc(c(c1)[N+]([O-])=O)O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.1277 |
logD: | -0.1594 |
logSw: | -4.1571 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 93.983 |
InChI Key: | VBMIRVIKRPHTOE-IBGZPJMESA-N |