4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-ethoxyphenyl methanesulfonate
Chemical Structure Depiction of
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-ethoxyphenyl methanesulfonate
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-ethoxyphenyl methanesulfonate
Compound characteristics
| Compound ID: | D336-6660 |
| Compound Name: | 4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-ethoxyphenyl methanesulfonate |
| Molecular Weight: | 401.46 |
| Molecular Formula: | C15 H19 N3 O6 S2 |
| Smiles: | CCOc1cc(ccc1OS(C)(=O)=O)C1N(C(C)=O)N=C(NC(C)=O)S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9547 |
| logD: | 0.9083 |
| logSw: | -2.3402 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.588 |
| InChI Key: | PEXAJNUFEZLCGG-AWEZNQCLSA-N |