N-(2H-1,3-benzodioxol-5-yl)-2-(3-oxo-3,5,7,8-tetrahydro-2H-thiopyrano[4,3-c]pyridazin-2-yl)acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-(3-oxo-3,5,7,8-tetrahydro-2H-thiopyrano[4,3-c]pyridazin-2-yl)acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-(3-oxo-3,5,7,8-tetrahydro-2H-thiopyrano[4,3-c]pyridazin-2-yl)acetamide
Compound characteristics
| Compound ID: | Y043-2194 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-(3-oxo-3,5,7,8-tetrahydro-2H-thiopyrano[4,3-c]pyridazin-2-yl)acetamide |
| Molecular Weight: | 345.37 |
| Molecular Formula: | C16 H15 N3 O4 S |
| Smiles: | C1CSCC2=CC(N(CC(Nc3ccc4c(c3)OCO4)=O)N=C12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7918 |
| logD: | 1.7918 |
| logSw: | -2.697 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.498 |
| InChI Key: | YKJMLBPBBUZPMH-UHFFFAOYSA-N |