2-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-4-methoxyphenyl benzenesulfonate
Chemical Structure Depiction of
2-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-4-methoxyphenyl benzenesulfonate
2-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-4-methoxyphenyl benzenesulfonate
Compound characteristics
| Compound ID: | D336-7586 |
| Compound Name: | 2-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-4-methoxyphenyl benzenesulfonate |
| Molecular Weight: | 449.5 |
| Molecular Formula: | C19 H19 N3 O6 S2 |
| Smiles: | CC(NC1=NN(C(c2cc(ccc2OS(c2ccccc2)(=O)=O)OC)S1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4688 |
| logD: | 2.4224 |
| logSw: | -3.0371 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.535 |
| InChI Key: | CZVQOHNJGHJTLX-SFHVURJKSA-N |