2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | F804-0248 |
| Compound Name: | 2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(3,4,5-trimethoxyphenyl)acetamide |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C22 H27 N5 O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)NC(CN1C(N2C(C=CC(=N2)SC2CCCCC2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6493 |
| logD: | 3.6492 |
| logSw: | -3.7782 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.496 |
| InChI Key: | VDSXRNWQWZNPAS-UHFFFAOYSA-N |