4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-bromo-6-methoxyphenyl methanesulfonate
Chemical Structure Depiction of
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-bromo-6-methoxyphenyl methanesulfonate
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-bromo-6-methoxyphenyl methanesulfonate
Compound characteristics
| Compound ID: | D336-6664 |
| Compound Name: | 4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-bromo-6-methoxyphenyl methanesulfonate |
| Molecular Weight: | 466.33 |
| Molecular Formula: | C14 H16 Br N3 O6 S2 |
| Smiles: | CC(NC1=NN(C(c2cc(c(c(c2)[Br])OS(C)(=O)=O)OC)S1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4828 |
| logD: | 1.4363 |
| logSw: | -2.3474 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.095 |
| InChI Key: | KTMJDERZGPVGQD-ZDUSSCGKSA-N |