N-[1-(adamantan-1-yl)ethyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
N-[1-(adamantan-1-yl)ethyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Compound characteristics
| Compound ID: | E019-0784 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide |
| Molecular Weight: | 463.64 |
| Molecular Formula: | C27 H33 N3 O2 S |
| Smiles: | CCC(C(NC(C)C12CC3CC(CC(C3)C2)C1)=O)N1C(c2c3ccccc3sc2C(C)=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0775 |
| logD: | 6.0775 |
| logSw: | -5.781 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.386 |
| InChI Key: | ZMSOBFCZUQXJOY-UHFFFAOYSA-N |