N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Chemical Structure Depiction of
N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Compound characteristics
| Compound ID: | E019-0742 |
| Compound Name: | N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C25 H24 N4 O2 S |
| Smiles: | CCC(C(NCCc1c[nH]c2ccccc12)=O)N1C(c2c3ccccc3sc2C(C)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8642 |
| logD: | 4.8642 |
| logSw: | -4.7898 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.902 |
| InChI Key: | NJGGHOGHCXXOIS-FQEVSTJZSA-N |