6,6-dimethyl-3-(thiophen-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one
Chemical Structure Depiction of
6,6-dimethyl-3-(thiophen-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one
6,6-dimethyl-3-(thiophen-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one
Compound characteristics
| Compound ID: | 8014-1498 |
| Compound Name: | 6,6-dimethyl-3-(thiophen-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one |
| Molecular Weight: | 246.33 |
| Molecular Formula: | C13 H14 N2 O S |
| Smiles: | CC1(C)CC(c2c(c3cccs3)n[nH]c2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6974 |
| logD: | 2.6974 |
| logSw: | -2.8355 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.186 |
| InChI Key: | CFRKYGGFFATMNI-UHFFFAOYSA-N |