N-[(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetyl]-L-valine
Chemical Structure Depiction of
N-[(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetyl]-L-valine
N-[(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetyl]-L-valine
Compound characteristics
| Compound ID: | Y043-1544 |
| Compound Name: | N-[(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetyl]-L-valine |
| Molecular Weight: | 321.37 |
| Molecular Formula: | C16 H23 N3 O4 |
| Smiles: | CC(C)[C@@H](C(O)=O)NC(CN1C(C=C2CCCCCC2=N1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.0586 |
| logD: | -3.6878 |
| logSw: | -0.9114 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.067 |
| InChI Key: | KCRRTSPBAVBYCI-HNNXBMFYSA-N |