4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-chlorophenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-chlorophenyl 4-methylbenzene-1-sulfonate
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-chlorophenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | D336-7150 |
| Compound Name: | 4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-chlorophenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 467.95 |
| Molecular Formula: | C19 H18 Cl N3 O5 S2 |
| Smiles: | CC(NC1=NN(C(c2ccc(c(c2)[Cl])OS(c2ccc(C)cc2)(=O)=O)S1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6225 |
| logD: | 3.5761 |
| logSw: | -4.0765 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.991 |
| InChI Key: | MDCJRQXJJITAHF-SFHVURJKSA-N |