methyl 4-{2-[(6-{4-[(propan-2-yl)carbamoyl]piperidin-1-yl}pyridazin-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(6-{4-[(propan-2-yl)carbamoyl]piperidin-1-yl}pyridazin-3-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(6-{4-[(propan-2-yl)carbamoyl]piperidin-1-yl}pyridazin-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
Compound ID: | L381-0878 |
Compound Name: | methyl 4-{2-[(6-{4-[(propan-2-yl)carbamoyl]piperidin-1-yl}pyridazin-3-yl)sulfanyl]acetamido}benzoate |
Molecular Weight: | 471.58 |
Molecular Formula: | C23 H29 N5 O4 S |
Smiles: | CC(C)NC(C1CCN(CC1)c1ccc(nn1)SCC(Nc1ccc(cc1)C(=O)OC)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.8196 |
logD: | 2.8193 |
logSw: | -3.3689 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 91.969 |
InChI Key: | ZHQIVBBNSKIQQO-UHFFFAOYSA-N |