methyl 4-[2-({6-[3-(propylcarbamoyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-({6-[3-(propylcarbamoyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamido]benzoate
methyl 4-[2-({6-[3-(propylcarbamoyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamido]benzoate
Compound characteristics
Compound ID: | M145-0303 |
Compound Name: | methyl 4-[2-({6-[3-(propylcarbamoyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamido]benzoate |
Molecular Weight: | 471.58 |
Molecular Formula: | C23 H29 N5 O4 S |
Smiles: | CCCNC(C1CCCN(C1)c1ccc(nn1)SCC(Nc1ccc(cc1)C(=O)OC)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.8091 |
logD: | 2.809 |
logSw: | -3.3152 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 92.77 |
InChI Key: | WFRBSMCPPHWBME-KRWDZBQOSA-N |