2-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-4-methylphenyl 4-methylbenzene-1-sulfonate
					Chemical Structure Depiction of
2-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-4-methylphenyl 4-methylbenzene-1-sulfonate
			2-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-4-methylphenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | D336-7529 | 
| Compound Name: | 2-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-4-methylphenyl 4-methylbenzene-1-sulfonate | 
| Molecular Weight: | 447.53 | 
| Molecular Formula: | C20 H21 N3 O5 S2 | 
| Smiles: | CC(NC1=NN(C(c2cc(C)ccc2OS(c2ccc(C)cc2)(=O)=O)S1)C(C)=O)=O | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 3.4281 | 
| logD: | 3.3817 | 
| logSw: | -3.7026 | 
| Hydrogen bond acceptors count: | 11 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 86.991 | 
| InChI Key: | PDOQGRYBDJBGRM-IBGZPJMESA-N | 
 
				 
				