4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl methanesulfonate
Chemical Structure Depiction of
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl methanesulfonate
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl methanesulfonate
Compound characteristics
| Compound ID: | D336-6656 |
| Compound Name: | 4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl methanesulfonate |
| Molecular Weight: | 357.4 |
| Molecular Formula: | C13 H15 N3 O5 S2 |
| Smiles: | CC(NC1=NN(C(c2ccc(cc2)OS(C)(=O)=O)S1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0476 |
| logD: | 1.0011 |
| logSw: | -2.1265 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.291 |
| InChI Key: | JPVONLPDIMWLNJ-LBPRGKRZSA-N |