methyl 2-(2-{[6-(5-methyl-1H-pyrazol-1-yl)pyridazin-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[6-(5-methyl-1H-pyrazol-1-yl)pyridazin-3-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[6-(5-methyl-1H-pyrazol-1-yl)pyridazin-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | M428-0523 |
| Compound Name: | methyl 2-(2-{[6-(5-methyl-1H-pyrazol-1-yl)pyridazin-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 383.43 |
| Molecular Formula: | C18 H17 N5 O3 S |
| Smiles: | Cc1ccnn1c1ccc(nn1)SCC(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0446 |
| logD: | 2.0281 |
| logSw: | -2.877 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.359 |
| InChI Key: | APAYBVAUMGSQBW-UHFFFAOYSA-N |