N-[4-acetyl-5-methyl-5-(4-nitrophenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide
Chemical Structure Depiction of
N-[4-acetyl-5-methyl-5-(4-nitrophenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide
N-[4-acetyl-5-methyl-5-(4-nitrophenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide
Compound characteristics
| Compound ID: | C185-0055 |
| Compound Name: | N-[4-acetyl-5-methyl-5-(4-nitrophenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide |
| Molecular Weight: | 322.34 |
| Molecular Formula: | C13 H14 N4 O4 S |
| Smiles: | CC(NC1=NN(C(C)=O)C(C)(c2ccc(cc2)[N+]([O-])=O)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9334 |
| logD: | 1.917 |
| logSw: | -2.5805 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.358 |
| InChI Key: | IMYPYOKSSLARTE-ZDUSSCGKSA-N |