methyl 4-(2-{[6-(benzylamino)pyridazin-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[6-(benzylamino)pyridazin-3-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[6-(benzylamino)pyridazin-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | F814-0716 |
| Compound Name: | methyl 4-(2-{[6-(benzylamino)pyridazin-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 408.48 |
| Molecular Formula: | C21 H20 N4 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1ccc(NCc2ccccc2)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.452 |
| logD: | 3.4519 |
| logSw: | -3.7733 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.196 |
| InChI Key: | JCCUPJKOVKRKFB-UHFFFAOYSA-N |