N-(4-chloro-2-methoxy-5-methylphenyl)-2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | F804-0224 |
| Compound Name: | N-(4-chloro-2-methoxy-5-methylphenyl)-2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide |
| Molecular Weight: | 461.97 |
| Molecular Formula: | C21 H24 Cl N5 O3 S |
| Smiles: | Cc1cc(c(cc1[Cl])OC)NC(CN1C(N2C(C=CC(=N2)SC2CCCCC2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2197 |
| logD: | 5.219 |
| logSw: | -5.6903 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.45 |
| InChI Key: | CGJIOXRRHIYFSS-UHFFFAOYSA-N |