2-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-4-chlorophenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
2-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-4-chlorophenyl 4-methylbenzene-1-sulfonate
2-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-4-chlorophenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | D336-7338 |
| Compound Name: | 2-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-4-chlorophenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 467.95 |
| Molecular Formula: | C19 H18 Cl N3 O5 S2 |
| Smiles: | CC(NC1=NN(C(c2cc(ccc2OS(c2ccc(C)cc2)(=O)=O)[Cl])S1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6845 |
| logD: | 3.6381 |
| logSw: | -4.1177 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.991 |
| InChI Key: | WEORVLBLYVLALY-SFHVURJKSA-N |