N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | E860-2612 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl]acetamide |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C23 H21 N5 O3 S |
| Smiles: | Cc1c2c(c(nn1)SCC(NCc1ccc3c(c1)OCO3)=O)nn(c1ccccc1)c2C |
| Stereo: | ACHIRAL |
| logP: | 2.9806 |
| logD: | 2.9806 |
| logSw: | -3.4571 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.332 |
| InChI Key: | IJGIYQWSRXXLMM-UHFFFAOYSA-N |