2-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-4-methoxyphenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
2-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-4-methoxyphenyl 4-methylbenzene-1-sulfonate
2-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-4-methoxyphenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | D336-7587 |
| Compound Name: | 2-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-4-methoxyphenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 463.53 |
| Molecular Formula: | C20 H21 N3 O6 S2 |
| Smiles: | CC(NC1=NN(C(c2cc(ccc2OS(c2ccc(C)cc2)(=O)=O)OC)S1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0773 |
| logD: | 3.0308 |
| logSw: | -3.5527 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.535 |
| InChI Key: | WDFIIDXPUVIQQR-IBGZPJMESA-N |