N-({3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetyl)isoleucine
Chemical Structure Depiction of
N-({3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetyl)isoleucine
N-({3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetyl)isoleucine
Compound characteristics
| Compound ID: | Y043-1871 |
| Compound Name: | N-({3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetyl)isoleucine |
| Molecular Weight: | 389.47 |
| Molecular Formula: | C19 H23 N3 O4 S |
| Smiles: | CC[C@@H](C)[C@@H](C(O)=O)NC(CN1C(C=CC(c2ccc(cc2)SC)=N1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5257 |
| logD: | -2.1035 |
| logSw: | -2.4585 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.051 |
| InChI Key: | HILWDGKSCHNMCB-XIKOKIGWSA-N |