N-({3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetyl)-L-alanine
Chemical Structure Depiction of
N-({3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetyl)-L-alanine
N-({3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetyl)-L-alanine
Compound characteristics
| Compound ID: | Y043-1868 |
| Compound Name: | N-({3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetyl)-L-alanine |
| Molecular Weight: | 347.39 |
| Molecular Formula: | C16 H17 N3 O4 S |
| Smiles: | C[C@@H](C(O)=O)NC(CN1C(C=CC(c2ccc(cc2)SC)=N1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.8982 |
| logD: | -2.7925 |
| logSw: | -2.2944 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.862 |
| InChI Key: | NPDOSYHDJDXKTD-JTQLQIEISA-N |