3-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl 4-methoxybenzoate
Chemical Structure Depiction of
3-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl 4-methoxybenzoate
3-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl 4-methoxybenzoate
Compound characteristics
| Compound ID: | D336-7697 |
| Compound Name: | 3-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl 4-methoxybenzoate |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C20 H19 N3 O5 S |
| Smiles: | CC(NC1=NN(C(c2cccc(c2)OC(c2ccc(cc2)OC)=O)S1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7659 |
| logD: | 2.7195 |
| logSw: | -3.3895 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.064 |
| InChI Key: | IFCHPAWXZKILML-SFHVURJKSA-N |