N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
Chemical Structure Depiction of
N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
Compound characteristics
| Compound ID: | J102-0318 |
| Compound Name: | N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide |
| Molecular Weight: | 365.43 |
| Molecular Formula: | C20 H23 N5 O2 |
| Smiles: | Cn1c2ccccc2nc1CNC(CN1C(C=C2CCCCCC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0652 |
| logD: | 2.0471 |
| logSw: | -2.5884 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.022 |
| InChI Key: | NBSDBHITQLRGPM-UHFFFAOYSA-N |