2-[(1,3-benzothiazol-2-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethan-1-one
Chemical Structure Depiction of
2-[(1,3-benzothiazol-2-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethan-1-one
2-[(1,3-benzothiazol-2-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | 3807-0078 |
| Compound Name: | 2-[(1,3-benzothiazol-2-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethan-1-one |
| Molecular Weight: | 380.53 |
| Molecular Formula: | C21 H20 N2 O S2 |
| Smiles: | CC1=CC(C)(C)N(C(CSc2nc3ccccc3s2)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 5.606 |
| logD: | 5.606 |
| logSw: | -5.4874 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 22.8782 |
| InChI Key: | VCORZSOYKVJUMD-UHFFFAOYSA-N |