N-[2-(azepan-1-yl)ethyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
N-[2-(azepan-1-yl)ethyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Compound characteristics
| Compound ID: | E019-0803 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide |
| Molecular Weight: | 426.58 |
| Molecular Formula: | C23 H30 N4 O2 S |
| Smiles: | CCC(C(NCCN1CCCCCC1)=O)N1C(c2c3ccccc3sc2C(C)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2546 |
| logD: | 2.6861 |
| logSw: | -4.0875 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.345 |
| InChI Key: | QNXRLGLAYKOUPL-SFHVURJKSA-N |