1-(6,6-dimethyl-3-phenyl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-2(3H)-yl)ethan-1-one
Chemical Structure Depiction of
1-(6,6-dimethyl-3-phenyl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-2(3H)-yl)ethan-1-one
1-(6,6-dimethyl-3-phenyl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-2(3H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8009-3291 |
| Compound Name: | 1-(6,6-dimethyl-3-phenyl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-2(3H)-yl)ethan-1-one |
| Molecular Weight: | 272.34 |
| Molecular Formula: | C16 H20 N2 O2 |
| Smiles: | CC(N1C(C2COC(C)(C)CC2=N1)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8358 |
| logD: | 2.8358 |
| logSw: | -3.1031 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.06 |
| InChI Key: | QLLDOMZBHXIMGG-UHFFFAOYSA-N |