N-(4-acetyl-5-{3-[(4-nitrophenyl)methoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide
Chemical Structure Depiction of
N-(4-acetyl-5-{3-[(4-nitrophenyl)methoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide
N-(4-acetyl-5-{3-[(4-nitrophenyl)methoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | D336-7708 |
| Compound Name: | N-(4-acetyl-5-{3-[(4-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(c2cccc(c2)OCc2ccc(cc2)[N+]([O-])=O)S1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1101 |
| logD: | 3.0636 |
| logSw: | -3.4574 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.752 |
| InChI Key: | PNEUNDDDYXDVCK-SFHVURJKSA-N |