N-(4-bromo-3-methylphenyl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
N-(4-bromo-3-methylphenyl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | F804-0555 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide |
| Molecular Weight: | 484.37 |
| Molecular Formula: | C21 H18 Br N5 O2 S |
| Smiles: | Cc1ccc(cc1)SC1C=CC2=NN(CC(Nc3ccc(c(C)c3)[Br])=O)C(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4648 |
| logD: | 5.4647 |
| logSw: | -5.3074 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.326 |
| InChI Key: | QRIGOMWILAQZFA-UHFFFAOYSA-N |