N-[(4-methoxyphenyl)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-[(4-methoxyphenyl)methyl]-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
N-[(4-methoxyphenyl)methyl]-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | F804-0565 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C22 H21 N5 O3 S |
| Smiles: | Cc1ccc(cc1)SC1C=CC2=NN(CC(NCc3ccc(cc3)OC)=O)C(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8503 |
| logD: | 3.8503 |
| logSw: | -3.9535 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.191 |
| InChI Key: | SSOFLDDXAGKXOD-UHFFFAOYSA-N |