N-{4-acetyl-5-[4-(methylsulfanyl)phenyl]-4,5-dihydro-1,3,4-thiadiazol-2-yl}acetamide
Chemical Structure Depiction of
N-{4-acetyl-5-[4-(methylsulfanyl)phenyl]-4,5-dihydro-1,3,4-thiadiazol-2-yl}acetamide
N-{4-acetyl-5-[4-(methylsulfanyl)phenyl]-4,5-dihydro-1,3,4-thiadiazol-2-yl}acetamide
Compound characteristics
| Compound ID: | C185-0023 |
| Compound Name: | N-{4-acetyl-5-[4-(methylsulfanyl)phenyl]-4,5-dihydro-1,3,4-thiadiazol-2-yl}acetamide |
| Molecular Weight: | 309.41 |
| Molecular Formula: | C13 H15 N3 O2 S2 |
| Smiles: | CC(NC1=NN(C(c2ccc(cc2)SC)S1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4811 |
| logD: | 2.4347 |
| logSw: | -2.8592 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.143 |
| InChI Key: | KKWHIISZSNSYGZ-LBPRGKRZSA-N |