methyl 4-[2-({6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-({6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamido]benzoate
methyl 4-[2-({6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | L381-0014 |
| Compound Name: | methyl 4-[2-({6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 497.62 |
| Molecular Formula: | C25 H31 N5 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1ccc(nn1)N1CCC(CC1)C(N1CCCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3788 |
| logD: | 3.3785 |
| logSw: | -3.5399 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.958 |
| InChI Key: | VCIUWJGZAUMDLN-UHFFFAOYSA-N |