2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one
Chemical Structure Depiction of
2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one
2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y020-5574 |
| Compound Name: | 2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one |
| Molecular Weight: | 498.67 |
| Molecular Formula: | C28 H26 N4 O S2 |
| Smiles: | CC1(CC(C)(C)N(C(CSc2nnc3n2c2ccccc2s3)=O)c2ccccc12)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.929 |
| logD: | 5.929 |
| logSw: | -5.6862 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.865 |
| InChI Key: | CJIBEZPKXRWAOG-NDEPHWFRSA-N |