N-[(4-methylphenyl)methyl]-2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
N-[(4-methylphenyl)methyl]-2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | F804-0167 |
| Compound Name: | N-[(4-methylphenyl)methyl]-2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide |
| Molecular Weight: | 405.48 |
| Molecular Formula: | C21 H19 N5 O2 S |
| Smiles: | Cc1ccc(CNC(CN2C(N3C(C=CC(=N3)Sc3ccccc3)=N2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6829 |
| logD: | 3.6829 |
| logSw: | -3.8246 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.648 |
| InChI Key: | AJJNTUZNZGDSCW-UHFFFAOYSA-N |