3,6,6-trimethyl-1-(1-methyl-1H-benzimidazol-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one
Chemical Structure Depiction of
3,6,6-trimethyl-1-(1-methyl-1H-benzimidazol-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one
3,6,6-trimethyl-1-(1-methyl-1H-benzimidazol-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one
Compound characteristics
| Compound ID: | 8012-5684 |
| Compound Name: | 3,6,6-trimethyl-1-(1-methyl-1H-benzimidazol-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one |
| Molecular Weight: | 308.38 |
| Molecular Formula: | C18 H20 N4 O |
| Smiles: | Cc1c2C(CC(C)(C)Cc2n(c2nc3ccccc3n2C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7211 |
| logD: | 2.2775 |
| logSw: | -2.9396 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.361 |
| InChI Key: | YAZWDURKNKRSAI-UHFFFAOYSA-N |