N-({3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetyl)-L-phenylalanine
Chemical Structure Depiction of
N-({3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetyl)-L-phenylalanine
N-({3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetyl)-L-phenylalanine
Compound characteristics
| Compound ID: | Y043-1873 |
| Compound Name: | N-({3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetyl)-L-phenylalanine |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C22 H21 N3 O4 S |
| Smiles: | CSc1ccc(cc1)C1C=CC(N(CC(N[C@@H](Cc2ccccc2)C(O)=O)=O)N=1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.0397 |
| logD: | -1.5929 |
| logSw: | -2.5941 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.058 |
| InChI Key: | ZRKYEUYYBQIQDB-IBGZPJMESA-N |