N-[2-(azepan-1-yl)ethyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)propanamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)propanamide
N-[2-(azepan-1-yl)ethyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)propanamide
Compound characteristics
| Compound ID: | E019-0516 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)propanamide |
| Molecular Weight: | 412.55 |
| Molecular Formula: | C22 H28 N4 O2 S |
| Smiles: | CC(C(NCCN1CCCCCC1)=O)N1C(c2c3ccccc3sc2C(C)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4974 |
| logD: | 1.9289 |
| logSw: | -3.8582 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.76 |
| InChI Key: | ATVTXCGSUXCKIU-INIZCTEOSA-N |