methyl 2-[2-({6-[4-(propylcarbamoyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-({6-[4-(propylcarbamoyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamido]benzoate
methyl 2-[2-({6-[4-(propylcarbamoyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | L381-1246 |
| Compound Name: | methyl 2-[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(Nc1ccccc1C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5653 |
| logD: | 2.5487 |
| logSw: | -3.0886 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.139 |
| InChI Key: | CDKDXWVRFIMDGP-UHFFFAOYSA-N |