2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(3,5-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(3,5-dimethylphenyl)acetamide
2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(3,5-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | F804-0211 |
| Compound Name: | 2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(3,5-dimethylphenyl)acetamide |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C21 H25 N5 O2 S |
| Smiles: | Cc1cc(C)cc(c1)NC(CN1C(N2C(C=CC(=N2)SC2CCCCC2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9618 |
| logD: | 4.9618 |
| logSw: | -4.5164 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.518 |
| InChI Key: | BQXPYEJCOKKRTE-UHFFFAOYSA-N |