N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-(2-methylpropane-2-sulfonyl)-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-(2-methylpropane-2-sulfonyl)-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-(2-methylpropane-2-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | C201-1290 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-(2-methylpropane-2-sulfonyl)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide |
| Molecular Weight: | 447.47 |
| Molecular Formula: | C19 H21 N5 O6 S |
| Smiles: | CC(C)(C)S(C1C=CC2=NN(CC(Nc3ccc4c(c3)OCCO4)=O)C(N2N=1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0316 |
| logD: | 1.0316 |
| logSw: | -2.5533 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.557 |
| InChI Key: | IRWLSRGECMOTCP-UHFFFAOYSA-N |