1-[6-hydroxy-3,6-dimethyl-4-(4-nitrophenyl)-4,5,6,7-tetrahydro-3aH-indazol-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-hydroxy-3,6-dimethyl-4-(4-nitrophenyl)-4,5,6,7-tetrahydro-3aH-indazol-5-yl]ethan-1-one
1-[6-hydroxy-3,6-dimethyl-4-(4-nitrophenyl)-4,5,6,7-tetrahydro-3aH-indazol-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | 5340-1451 |
| Compound Name: | 1-[6-hydroxy-3,6-dimethyl-4-(4-nitrophenyl)-4,5,6,7-tetrahydro-3aH-indazol-5-yl]ethan-1-one |
| Molecular Weight: | 329.35 |
| Molecular Formula: | C17 H19 N3 O4 |
| Smiles: | CC1C2C(C(C(C)=O)C(C)(CC2=NN=1)O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5311 |
| logD: | 2.0357 |
| logSw: | -2.53 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.852 |
| InChI Key: | KLUFAIXBSGETEP-UHFFFAOYSA-N |