2-(3-sulfanylidene[1,2,4]triazolo[3,4-b][1,3]benzothiazol-2(3H)-yl)-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one
Chemical Structure Depiction of
2-(3-sulfanylidene[1,2,4]triazolo[3,4-b][1,3]benzothiazol-2(3H)-yl)-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one
2-(3-sulfanylidene[1,2,4]triazolo[3,4-b][1,3]benzothiazol-2(3H)-yl)-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y020-7199 |
| Compound Name: | 2-(3-sulfanylidene[1,2,4]triazolo[3,4-b][1,3]benzothiazol-2(3H)-yl)-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one |
| Molecular Weight: | 422.57 |
| Molecular Formula: | C22 H22 N4 O S2 |
| Smiles: | CC1CC(C)(C)N(C(CN2C(N3C(=N2)Sc2ccccc23)=S)=O)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8607 |
| logD: | 3.8604 |
| logSw: | -4.003 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 32.351 |
| InChI Key: | IHVKZBIGDBHPJA-CQSZACIVSA-N |