methyl 4-[2-({6-[4-(propylcarbamoyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-({6-[4-(propylcarbamoyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamido]benzoate
methyl 4-[2-({6-[4-(propylcarbamoyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | L381-1311 |
| Compound Name: | methyl 4-[2-({6-[4-(propylcarbamoyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 471.58 |
| Molecular Formula: | C23 H29 N5 O4 S |
| Smiles: | CCCNC(C1CCN(CC1)c1ccc(nn1)SCC(Nc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9315 |
| logD: | 2.9312 |
| logSw: | -3.3523 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.836 |
| InChI Key: | GEVBKGGNBHUHHL-UHFFFAOYSA-N |