N-(3-chloro-4-methoxyphenyl)-2-{6-[(4-methylphenyl)sulfanyl]-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-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
N-(3-chloro-4-methoxyphenyl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | F804-0503 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide |
| Molecular Weight: | 455.92 |
| Molecular Formula: | C21 H18 Cl N5 O3 S |
| Smiles: | Cc1ccc(cc1)SC1C=CC2=NN(CC(Nc3ccc(c(c3)[Cl])OC)=O)C(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8008 |
| logD: | 4.8007 |
| logSw: | -4.9265 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.956 |
| InChI Key: | HPCPPYDRHLXWCU-UHFFFAOYSA-N |