4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-bromophenyl benzoate
Chemical Structure Depiction of
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-bromophenyl benzoate
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-bromophenyl benzoate
Compound characteristics
| Compound ID: | D336-7069 |
| Compound Name: | 4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-bromophenyl benzoate |
| Molecular Weight: | 462.32 |
| Molecular Formula: | C19 H16 Br N3 O4 S |
| Smiles: | CC(NC1=NN(C(c2ccc(c(c2)[Br])OC(c2ccccc2)=O)S1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2453 |
| logD: | 3.1989 |
| logSw: | -3.6024 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.607 |
| InChI Key: | GAWUWUBWJNZLER-KRWDZBQOSA-N |