N-[(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetyl]isoleucine
Chemical Structure Depiction of
N-[(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetyl]isoleucine
N-[(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetyl]isoleucine
Compound characteristics
| Compound ID: | Y043-1546 |
| Compound Name: | N-[(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetyl]isoleucine |
| Molecular Weight: | 335.4 |
| Molecular Formula: | C17 H25 N3 O4 |
| Smiles: | CC[C@@H](C)[C@@H](C(O)=O)NC(CN1C(C=C2CCCCCC2=N1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.4211 |
| logD: | -3.2081 |
| logSw: | -1.171 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.067 |
| InChI Key: | FWIJZIUADHGHTN-BZNIZROVSA-N |