N-(4-acetyl-5-{2-[(2-nitrophenyl)methoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide
Chemical Structure Depiction of
N-(4-acetyl-5-{2-[(2-nitrophenyl)methoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide
N-(4-acetyl-5-{2-[(2-nitrophenyl)methoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | D336-7622 |
| Compound Name: | N-(4-acetyl-5-{2-[(2-nitrophenyl)methoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 414.44 |
| Molecular Formula: | C19 H18 N4 O5 S |
| Smiles: | CC(NC1=NN(C(c2ccccc2OCc2ccccc2[N+]([O-])=O)S1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.368 |
| logD: | 3.3215 |
| logSw: | -3.7277 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.537 |
| InChI Key: | XIZCEBGMOOTGOX-SFHVURJKSA-N |