3-benzyl-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
Chemical Structure Depiction of
3-benzyl-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
3-benzyl-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
Compound characteristics
| Compound ID: | 8013-3552 |
| Compound Name: | 3-benzyl-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one |
| Molecular Weight: | 254.33 |
| Molecular Formula: | C16 H18 N2 O |
| Smiles: | CC1(C)CC(c2c(Cc3ccccc3)n[nH]c2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7515 |
| logD: | 2.7515 |
| logSw: | -3.033 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.663 |
| InChI Key: | PNIAQTXJVGYYMH-UHFFFAOYSA-N |