N-{(1S)-1-[1-(2-methoxyethyl)-1H-benzimidazol-2-yl]ethyl}-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{(1S)-1-[1-(2-methoxyethyl)-1H-benzimidazol-2-yl]ethyl}-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-{(1S)-1-[1-(2-methoxyethyl)-1H-benzimidazol-2-yl]ethyl}-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y044-4623 |
| Compound Name: | N-{(1S)-1-[1-(2-methoxyethyl)-1H-benzimidazol-2-yl]ethyl}-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 390.44 |
| Molecular Formula: | C22 H22 N4 O3 |
| Smiles: | C[C@@H](c1nc2ccccc2n1CCOC)NC(C1=CNC(c2ccccc12)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.5251 |
| logD: | 2.5193 |
| logSw: | -2.9309 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.831 |
| InChI Key: | QYLVKSBQLSOZLS-AWEZNQCLSA-N |