2-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,7-tetramethylquinolin-1(2H)-yl)ethan-1-one
Chemical Structure Depiction of
2-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,7-tetramethylquinolin-1(2H)-yl)ethan-1-one
2-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,7-tetramethylquinolin-1(2H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | 4802-0177 |
| Compound Name: | 2-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,7-tetramethylquinolin-1(2H)-yl)ethan-1-one |
| Molecular Weight: | 453.65 |
| Molecular Formula: | C23 H23 N3 O S3 |
| Smiles: | CC1=CC(C)(C)N(C(CSC2=NN(C(=S)S2)c2ccccc2)=O)c2cc(C)ccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.3293 |
| logD: | 6.3292 |
| logSw: | -5.5599 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 28.0179 |
| InChI Key: | JEISMFUNPDZHDE-UHFFFAOYSA-N |