(oxolan-2-yl)methyl 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
(oxolan-2-yl)methyl 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
(oxolan-2-yl)methyl 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 5991-0161 |
| Compound Name: | (oxolan-2-yl)methyl 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 474.94 |
| Molecular Formula: | C24 H27 Cl N2 O6 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(c(c1)[N+]([O-])=O)[Cl])C(=O)OCC1CCCO1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6616 |
| logD: | -0.6256 |
| logSw: | -4.1781 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.514 |
| InChI Key: | WSUPHLAFYZQHLX-UHFFFAOYSA-N |