4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-bromophenyl thiophene-2-carboxylate
Chemical Structure Depiction of
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-bromophenyl thiophene-2-carboxylate
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-bromophenyl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | D336-7078 |
| Compound Name: | 4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-bromophenyl thiophene-2-carboxylate |
| Molecular Weight: | 468.35 |
| Molecular Formula: | C17 H14 Br N3 O4 S2 |
| Smiles: | CC(NC1=NN(C(c2ccc(c(c2)[Br])OC(c2cccs2)=O)S1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3021 |
| logD: | 3.2557 |
| logSw: | -3.6957 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.625 |
| InChI Key: | IDEOTVBUNMVHQY-HNNXBMFYSA-N |