2-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-4-bromophenyl methanesulfonate
Chemical Structure Depiction of
2-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-4-bromophenyl methanesulfonate
2-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-4-bromophenyl methanesulfonate
Compound characteristics
| Compound ID: | D336-7406 |
| Compound Name: | 2-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-4-bromophenyl methanesulfonate |
| Molecular Weight: | 436.3 |
| Molecular Formula: | C13 H14 Br N3 O5 S2 |
| Smiles: | CC(NC1=NN(C(c2cc(ccc2OS(C)(=O)=O)[Br])S1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7678 |
| logD: | 1.7213 |
| logSw: | -2.5972 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.378 |
| InChI Key: | ASUKAPYTDTZMGE-LBPRGKRZSA-N |