N-(3-chloro-4-methoxyphenyl)-2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
N-(3-chloro-4-methoxyphenyl)-2-[6-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | F804-0203 |
| Compound Name: | N-(3-chloro-4-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(cc1[Cl])NC(CN1C(N2C(C=CC(=N2)SC2CCCCC2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7794 |
| logD: | 4.7793 |
| logSw: | -4.9086 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.148 |
| InChI Key: | VZAQTYNVKBEXCV-UHFFFAOYSA-N |