N-{4-acetyl-5-[1-chloro-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1,3,4-thiadiazol-2-yl}acetamide
Chemical Structure Depiction of
N-{4-acetyl-5-[1-chloro-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1,3,4-thiadiazol-2-yl}acetamide
N-{4-acetyl-5-[1-chloro-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1,3,4-thiadiazol-2-yl}acetamide
Compound characteristics
| Compound ID: | C185-0021 |
| Compound Name: | N-{4-acetyl-5-[1-chloro-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1,3,4-thiadiazol-2-yl}acetamide |
| Molecular Weight: | 368.8 |
| Molecular Formula: | C14 H13 Cl N4 O4 S |
| Smiles: | CC(NC1=NN(C(/C(=C/c2ccc(cc2)[N+]([O-])=O)[Cl])S1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6542 |
| logD: | 2.4463 |
| logSw: | -3.7061 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.524 |
| InChI Key: | QCPYVXRTLMRYOQ-ZDUSSCGKSA-N |