methyl 2-[4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamido]benzoate
Chemical Structure Depiction of
methyl 2-[4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamido]benzoate
methyl 2-[4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamido]benzoate
Compound characteristics
| Compound ID: | E019-0974 |
| Compound Name: | methyl 2-[4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamido]benzoate |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C23 H21 N3 O4 S |
| Smiles: | CC1c2c(C(N(CCCC(Nc3ccccc3C(=O)OC)=O)N=1)=O)c1ccccc1s2 |
| Stereo: | ACHIRAL |
| logP: | 3.2711 |
| logD: | 3.2455 |
| logSw: | -3.5851 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.991 |
| InChI Key: | YMUAAQHBUDBCPY-UHFFFAOYSA-N |