2-[(1H-benzimidazol-2-yl)sulfanyl]-1-(2,2,4,6,7-pentamethylquinolin-1(2H)-yl)ethan-1-one
Chemical Structure Depiction of
2-[(1H-benzimidazol-2-yl)sulfanyl]-1-(2,2,4,6,7-pentamethylquinolin-1(2H)-yl)ethan-1-one
2-[(1H-benzimidazol-2-yl)sulfanyl]-1-(2,2,4,6,7-pentamethylquinolin-1(2H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | 4477-1925 |
| Compound Name: | 2-[(1H-benzimidazol-2-yl)sulfanyl]-1-(2,2,4,6,7-pentamethylquinolin-1(2H)-yl)ethan-1-one |
| Molecular Weight: | 391.53 |
| Molecular Formula: | C23 H25 N3 O S |
| Smiles: | CC1=CC(C)(C)N(C(CSc2nc3ccccc3[nH]2)=O)c2cc(C)c(C)cc12 |
| Stereo: | ACHIRAL |
| logP: | 5.2963 |
| logD: | 5.295 |
| logSw: | -5.3236 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.81 |
| InChI Key: | UJPWEWQBHITGDY-UHFFFAOYSA-N |