2-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-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-trimethyl-4-phenyl-3,4-dihydroquinolin-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-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y020-5546 |
| Compound Name: | 2-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one |
| Molecular Weight: | 517.73 |
| Molecular Formula: | C28 H27 N3 O S3 |
| Smiles: | CC1(CC(C)(C)N(C(CSC2=NN(C(=S)S2)c2ccccc2)=O)c2ccccc12)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9375 |
| logD: | 6.9374 |
| logSw: | -5.8538 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 27.7464 |
| InChI Key: | CWPNXJAARURMDG-NDEPHWFRSA-N |