N-[(2-chlorophenyl)methyl]-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-chlorophenyl)methyl]-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
N-[(2-chlorophenyl)methyl]-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | F804-0566 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide |
| Molecular Weight: | 439.92 |
| Molecular Formula: | C21 H18 Cl N5 O2 S |
| Smiles: | Cc1ccc(cc1)SC1C=CC2=NN(CC(NCc3ccccc3[Cl])=O)C(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6499 |
| logD: | 4.6499 |
| logSw: | -4.6589 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.648 |
| InChI Key: | XYZBLEAHMXWAJQ-UHFFFAOYSA-N |