N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | F804-0519 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide |
| Molecular Weight: | 449.49 |
| Molecular Formula: | C22 H19 N5 O4 S |
| Smiles: | Cc1ccc(cc1)SC1C=CC2=NN(CC(Nc3ccc4c(c3)OCCO4)=O)C(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2627 |
| logD: | 3.2627 |
| logSw: | -3.4032 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.149 |
| InChI Key: | VNPDCNVPYLJKIT-UHFFFAOYSA-N |