N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
Compound characteristics
| Compound ID: | Y042-6537 |
| Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide |
| Molecular Weight: | 393.49 |
| Molecular Formula: | C22 H27 N5 O2 |
| Smiles: | CC(C)[C@@H](c1nc2ccccc2[nH]1)NC(CN1C(C=C2CCCCCC2=N1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.8151 |
| logD: | 2.8096 |
| logSw: | -3.2861 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.679 |
| InChI Key: | IHYMMYSDSFITCF-NRFANRHFSA-N |