2-[(1H-benzimidazol-2-yl)sulfanyl]-1-(2,2,4,6-tetramethylquinolin-1(2H)-yl)ethan-1-one
Chemical Structure Depiction of
2-[(1H-benzimidazol-2-yl)sulfanyl]-1-(2,2,4,6-tetramethylquinolin-1(2H)-yl)ethan-1-one
2-[(1H-benzimidazol-2-yl)sulfanyl]-1-(2,2,4,6-tetramethylquinolin-1(2H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | 4802-0179 |
| Compound Name: | 2-[(1H-benzimidazol-2-yl)sulfanyl]-1-(2,2,4,6-tetramethylquinolin-1(2H)-yl)ethan-1-one |
| Molecular Weight: | 377.51 |
| Molecular Formula: | C22 H23 N3 O S |
| Smiles: | CC1=CC(C)(C)N(C(CSc2nc3ccccc3[nH]2)=O)c2ccc(C)cc12 |
| Stereo: | ACHIRAL |
| logP: | 4.7362 |
| logD: | 4.7348 |
| logSw: | -4.5328 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.81 |
| InChI Key: | AHAISLUPQLNCPL-UHFFFAOYSA-N |