ethyl 4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzoate
ethyl 4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzoate
Compound characteristics
| Compound ID: | 8009-6718 |
| Compound Name: | ethyl 4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzoate |
| Molecular Weight: | 326.39 |
| Molecular Formula: | C19 H22 N2 O3 |
| Smiles: | CCOC(c1ccc(cc1)n1c2CC(C)(C)CC(c2c(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2784 |
| logD: | 3.2784 |
| logSw: | -3.3488 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.563 |
| InChI Key: | QONMWIMINXYJHE-UHFFFAOYSA-N |