N-[2-(1H-benzimidazol-1-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-1-yl)ethyl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
N-[2-(1H-benzimidazol-1-yl)ethyl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
Compound characteristics
| Compound ID: | J102-0290 |
| Compound Name: | N-[2-(1H-benzimidazol-1-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(NCCn3cnc4ccccc34)=O)N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3066 |
| logD: | 1.3041 |
| logSw: | -2.1092 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.312 |
| InChI Key: | UMASYOMUEIFUHT-UHFFFAOYSA-N |