ethyl 4-{2-[(6-{4-[(propan-2-yl)carbamoyl]piperidin-1-yl}pyridazin-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(6-{4-[(propan-2-yl)carbamoyl]piperidin-1-yl}pyridazin-3-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(6-{4-[(propan-2-yl)carbamoyl]piperidin-1-yl}pyridazin-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | L381-0880 |
| Compound Name: | ethyl 4-{2-[(6-{4-[(propan-2-yl)carbamoyl]piperidin-1-yl}pyridazin-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 485.6 |
| Molecular Formula: | C24 H31 N5 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1ccc(nn1)N1CCC(CC1)C(NC(C)C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3302 |
| logD: | 3.33 |
| logSw: | -3.4031 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.549 |
| InChI Key: | JEKKYTHDOKMCHI-UHFFFAOYSA-N |