1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one
1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one
Compound characteristics
Compound ID: | 6456-0231 |
Compound Name: | 1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one |
Molecular Weight: | 412.55 |
Molecular Formula: | C19 H16 N4 O S3 |
Smiles: | C1C=NN(C1c1ccccc1)C(CSC1=NN(C(=S)S1)c1ccccc1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.5755 |
logD: | 4.5753 |
logSw: | -4.5161 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 41.634 |
InChI Key: | YPFDYCMLSXZDJP-INIZCTEOSA-N |