2-[(1H-benzimidazol-2-yl)sulfanyl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Chemical Structure Depiction of
2-[(1H-benzimidazol-2-yl)sulfanyl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
2-[(1H-benzimidazol-2-yl)sulfanyl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y021-1577 |
| Compound Name: | 2-[(1H-benzimidazol-2-yl)sulfanyl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one |
| Molecular Weight: | 323.41 |
| Molecular Formula: | C18 H17 N3 O S |
| Smiles: | C1CN(Cc2ccccc12)C(CSc1nc2ccccc2[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.074 |
| logD: | 3.0499 |
| logSw: | -3.2221 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.034 |
| InChI Key: | ZZGMJBCZTOGGCR-UHFFFAOYSA-N |