2-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-4-methylphenyl benzenesulfonate
Chemical Structure Depiction of
2-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-4-methylphenyl benzenesulfonate
2-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-4-methylphenyl benzenesulfonate
Compound characteristics
| Compound ID: | D336-7528 |
| Compound Name: | 2-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-4-methylphenyl benzenesulfonate |
| Molecular Weight: | 433.5 |
| Molecular Formula: | C19 H19 N3 O5 S2 |
| Smiles: | CC(NC1=NN(C(c2cc(C)ccc2OS(c2ccccc2)(=O)=O)S1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8197 |
| logD: | 2.7732 |
| logSw: | -3.4597 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.991 |
| InChI Key: | IEQQXNNZWAQLLM-SFHVURJKSA-N |