methyl 4-(2-{[6-(thiophen-2-yl)pyridazin-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[6-(thiophen-2-yl)pyridazin-3-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[6-(thiophen-2-yl)pyridazin-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | E547-0079 |
| Compound Name: | methyl 4-(2-{[6-(thiophen-2-yl)pyridazin-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 385.46 |
| Molecular Formula: | C18 H15 N3 O3 S2 |
| Smiles: | COC(c1ccc(cc1)NC(CSc1ccc(c2cccs2)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5232 |
| logD: | 3.5231 |
| logSw: | -3.7352 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.141 |
| InChI Key: | JAQIINQOXZAPHB-UHFFFAOYSA-N |