N-(4-acetyl-5-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide
Chemical Structure Depiction of
N-(4-acetyl-5-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide
N-(4-acetyl-5-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | C185-0049 |
| Compound Name: | N-(4-acetyl-5-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 444.46 |
| Molecular Formula: | C20 H20 N4 O6 S |
| Smiles: | CC(NC1=NN(C(c2ccc(c(c2)OC)OCc2ccc(cc2)[N+]([O-])=O)S1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8606 |
| logD: | 2.8142 |
| logSw: | -3.4341 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.469 |
| InChI Key: | RWRISJUUVDTCJV-IBGZPJMESA-N |