N-[(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-[(1H-benzimidazol-2-yl)methyl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
N-[(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: | J102-0310 |
| Compound Name: | N-[(1H-benzimidazol-2-yl)methyl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide |
| Molecular Weight: | 351.41 |
| Molecular Formula: | C19 H21 N5 O2 |
| Smiles: | C1CCC2=CC(N(CC(NCc3nc4ccccc4[nH]3)=O)N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1823 |
| logD: | 2.1789 |
| logSw: | -2.6241 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.317 |
| InChI Key: | XWHJEPFCZFYQPF-UHFFFAOYSA-N |