4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-bromophenyl benzenesulfonate
Chemical Structure Depiction of
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-bromophenyl benzenesulfonate
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-bromophenyl benzenesulfonate
Compound characteristics
| Compound ID: | D336-7147 |
| Compound Name: | 4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-bromophenyl benzenesulfonate |
| Molecular Weight: | 498.37 |
| Molecular Formula: | C18 H16 Br N3 O5 S2 |
| Smiles: | CC(NC1=NN(C(c2ccc(c(c2)[Br])OS(c2ccccc2)(=O)=O)S1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8777 |
| logD: | 2.8312 |
| logSw: | -3.4689 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.991 |
| InChI Key: | XYVRXPUDKBGBOS-KRWDZBQOSA-N |