N-[(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetyl]-beta-alanine
Chemical Structure Depiction of
N-[(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetyl]-beta-alanine
N-[(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetyl]-beta-alanine
Compound characteristics
| Compound ID: | J102-0011 |
| Compound Name: | N-[(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetyl]-beta-alanine |
| Molecular Weight: | 293.32 |
| Molecular Formula: | C14 H19 N3 O4 |
| Smiles: | C1CCC2=CC(N(CC(NCCC(O)=O)=O)N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.4925 |
| logD: | -3.1882 |
| logSw: | -0.9396 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.532 |
| InChI Key: | PVVRVAKVWHAIEJ-UHFFFAOYSA-N |