1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-({5-[(prop-2-en-1-yl)amino]-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-({5-[(prop-2-en-1-yl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)ethan-1-one
1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-({5-[(prop-2-en-1-yl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | Y020-1834 |
| Compound Name: | 1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-({5-[(prop-2-en-1-yl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 359.47 |
| Molecular Formula: | C16 H17 N5 O S2 |
| Smiles: | C=CCNc1nnc(SCC(N2C(CC=N2)c2ccccc2)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1324 |
| logD: | 3.1324 |
| logSw: | -3.2281 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.666 |
| InChI Key: | LKNBVDBKDYEMFW-ZDUSSCGKSA-N |