N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[6-(4-bromophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[6-(4-bromophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[6-(4-bromophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-6476 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[6-(4-bromophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 498.36 |
| Molecular Formula: | C21 H16 Br N5 O3 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CSc1nnc2ccc(c3ccc(cc3)[Br])nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0173 |
| logD: | 4.0173 |
| logSw: | -4.2922 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.294 |
| InChI Key: | MFTNPXQAYLUXNF-UHFFFAOYSA-N |