N-(5-chloro-2-methoxyphenyl)-2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
N-(5-chloro-2-methoxyphenyl)-2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | F804-0261 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide |
| Molecular Weight: | 447.94 |
| Molecular Formula: | C20 H22 Cl N5 O3 S |
| Smiles: | COc1ccc(cc1NC(CN1C(N2C(C=CC(=N2)SC2CCCCC2)=N1)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.5217 |
| logD: | 4.5203 |
| logSw: | -4.6738 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.45 |
| InChI Key: | PMOPJCDIVZLHIL-UHFFFAOYSA-N |