2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(2,5-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(2,5-dimethoxyphenyl)acetamide
2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(2,5-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | F804-0235 |
| Compound Name: | 2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]-N-(2,5-dimethoxyphenyl)acetamide |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C21 H25 N5 O4 S |
| Smiles: | COc1ccc(c(c1)NC(CN1C(N2C(C=CC(=N2)SC2CCCCC2)=N1)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.9522 |
| logD: | 3.952 |
| logSw: | -4.0188 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.994 |
| InChI Key: | RXAKTDPPLCJBNA-UHFFFAOYSA-N |