N-({3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetyl)-L-valine
Chemical Structure Depiction of
N-({3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetyl)-L-valine
N-({3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetyl)-L-valine
Compound characteristics
| Compound ID: | Y043-1869 |
| Compound Name: | N-({3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetyl)-L-valine |
| Molecular Weight: | 375.44 |
| Molecular Formula: | C18 H21 N3 O4 S |
| Smiles: | CC(C)[C@@H](C(O)=O)NC(CN1C(C=CC(c2ccc(cc2)SC)=N1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.046 |
| logD: | -2.5832 |
| logSw: | -2.3031 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.051 |
| InChI Key: | XSXPLPSBEQBRKU-KRWDZBQOSA-N |