ethyl 6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-3,3a,4,5,6,7-hexahydro-2H-indazole-5-carboxylate
Chemical Structure Depiction of
ethyl 6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-3,3a,4,5,6,7-hexahydro-2H-indazole-5-carboxylate
ethyl 6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-3,3a,4,5,6,7-hexahydro-2H-indazole-5-carboxylate
Compound characteristics
| Compound ID: | 5340-1871 |
| Compound Name: | ethyl 6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-3,3a,4,5,6,7-hexahydro-2H-indazole-5-carboxylate |
| Molecular Weight: | 361.35 |
| Molecular Formula: | C17 H19 N3 O6 |
| Smiles: | CCOC(C1C(C2C(CC1(C)O)=NNC2=O)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8059 |
| logD: | -0.5133 |
| logSw: | -2.284 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.673 |
| InChI Key: | KONHVAPSKTWBQT-UHFFFAOYSA-N |