4-[(2-{3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetamido)methyl]benzoic acid
Chemical Structure Depiction of
4-[(2-{3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetamido)methyl]benzoic acid
4-[(2-{3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetamido)methyl]benzoic acid
Compound characteristics
| Compound ID: | Y043-1875 |
| Compound Name: | 4-[(2-{3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetamido)methyl]benzoic acid |
| Molecular Weight: | 409.46 |
| Molecular Formula: | C21 H19 N3 O4 S |
| Smiles: | CSc1ccc(cc1)C1C=CC(N(CC(NCc2ccc(cc2)C(O)=O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1582 |
| logD: | 0.1867 |
| logSw: | -3.2519 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.427 |
| InChI Key: | BQRARQZAHAJQOC-UHFFFAOYSA-N |