methyl 4-{2-[(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}pyridazin-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}pyridazin-3-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}pyridazin-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | F814-1535 |
| Compound Name: | methyl 4-{2-[(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}pyridazin-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 452.49 |
| Molecular Formula: | C22 H20 N4 O5 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1ccc(NCc2ccc3c(c2)OCO3)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3651 |
| logD: | 3.365 |
| logSw: | -3.7019 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.311 |
| InChI Key: | SXYFBRHFNFLSIF-UHFFFAOYSA-N |