ethyl 4-[4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamido]benzoate
Chemical Structure Depiction of
ethyl 4-[4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamido]benzoate
ethyl 4-[4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamido]benzoate
Compound characteristics
| Compound ID: | E019-0989 |
| Compound Name: | ethyl 4-[4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamido]benzoate |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C24 H23 N3 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CCCN1C(c2c3ccccc3sc2C(C)=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1479 |
| logD: | 4.1477 |
| logSw: | -4.1321 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.268 |
| InChI Key: | FSPSIOQGYZMBEG-UHFFFAOYSA-N |