2-{3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
Chemical Structure Depiction of
2-{3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
2-{3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | Y044-1804 |
| Compound Name: | 2-{3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide |
| Molecular Weight: | 426.56 |
| Molecular Formula: | C21 H22 N4 O2 S2 |
| Smiles: | CSc1ccc(cc1)C1C=CC(N(CC(Nc2nc3CCCCCc3s2)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8868 |
| logD: | 4.8597 |
| logSw: | -4.4686 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.496 |
| InChI Key: | PSPGJZOOZWJUFU-UHFFFAOYSA-N |