N-[(2,3-dimethoxyphenyl)methyl]-2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-[(2,3-dimethoxyphenyl)methyl]-2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
N-[(2,3-dimethoxyphenyl)methyl]-2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | F804-0170 |
| Compound Name: | N-[(2,3-dimethoxyphenyl)methyl]-2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C22 H21 N5 O4 S |
| Smiles: | COc1cccc(CNC(CN2C(N3C(C=CC(=N3)Sc3ccccc3)=N2)=O)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 3.4005 |
| logD: | 3.4005 |
| logSw: | -3.7287 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.995 |
| InChI Key: | MHXKYRJCIRNPMG-UHFFFAOYSA-N |