N-[2-(3,4-diethoxyphenyl)ethyl]-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Compound characteristics
| Compound ID: | E019-1070 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide |
| Molecular Weight: | 493.62 |
| Molecular Formula: | C27 H31 N3 O4 S |
| Smiles: | CCOc1ccc(CCNC(CCCN2C(c3c4ccccc4sc3C(C)=N2)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 3.0298 |
| logD: | 3.0298 |
| logSw: | -3.2736 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.099 |
| InChI Key: | KMRKBJFZPOUQJI-UHFFFAOYSA-N |