N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
Chemical Structure Depiction of
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
Compound characteristics
| Compound ID: | J102-0348 |
| Compound Name: | N-[2-(1H-benzimidazol-2-yl)ethyl]-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: | C1CCC2=CC(N(CC(NCCc3nc4ccccc4[nH]3)=O)N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8578 |
| logD: | 1.8443 |
| logSw: | -2.4119 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.159 |
| InChI Key: | UVEAIUPZQVOKPF-UHFFFAOYSA-N |