propan-2-yl 4-{2-[6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl]acetamido}benzoate
Chemical Structure Depiction of
propan-2-yl 4-{2-[6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl]acetamido}benzoate
propan-2-yl 4-{2-[6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | Y043-1592 |
| Compound Name: | propan-2-yl 4-{2-[6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl]acetamido}benzoate |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C20 H19 N3 O4 S |
| Smiles: | CC(C)OC(c1ccc(cc1)NC(CN1C(C=CC(c2cccs2)=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.54 |
| logD: | 3.54 |
| logSw: | -3.7418 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.148 |
| InChI Key: | QYLPSVRJXZGAGZ-UHFFFAOYSA-N |