4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-methoxyphenyl benzoate
Chemical Structure Depiction of
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-methoxyphenyl benzoate
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-methoxyphenyl benzoate
Compound characteristics
| Compound ID: | D336-6937 |
| Compound Name: | 4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-methoxyphenyl benzoate |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C20 H19 N3 O5 S |
| Smiles: | CC(NC1=NN(C(c2ccc(c(c2)OC)OC(c2ccccc2)=O)S1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7513 |
| logD: | 2.7048 |
| logSw: | -3.4281 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.238 |
| InChI Key: | RWWRKUCCPOIUQE-SFHVURJKSA-N |