methyl 2-[2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)propanamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)propanamido]benzoate
methyl 2-[2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)propanamido]benzoate
Compound characteristics
| Compound ID: | E019-0407 |
| Compound Name: | methyl 2-[2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)propanamido]benzoate |
| Molecular Weight: | 421.47 |
| Molecular Formula: | C22 H19 N3 O4 S |
| Smiles: | CC(C(Nc1ccccc1C(=O)OC)=O)N1C(c2c3ccccc3sc2C(C)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0763 |
| logD: | 4.065 |
| logSw: | -4.3962 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.759 |
| InChI Key: | IJLKEONLIDKDPK-ZDUSSCGKSA-N |