N-[(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetyl]-L-alanine
Chemical Structure Depiction of
N-[(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetyl]-L-alanine
N-[(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetyl]-L-alanine
Compound characteristics
| Compound ID: | J102-0004 |
| Compound Name: | N-[(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetyl]-L-alanine |
| Molecular Weight: | 293.32 |
| Molecular Formula: | C14 H19 N3 O4 |
| Smiles: | C[C@@H](C(O)=O)NC(CN1C(C=C2CCCCCC2=N1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.2063 |
| logD: | -3.897 |
| logSw: | -0.9166 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.878 |
| InChI Key: | XWBVEHNMCDTXOD-VIFPVBQESA-N |