4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-bromo-6-methoxyphenyl benzoate
Chemical Structure Depiction of
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-bromo-6-methoxyphenyl benzoate
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-bromo-6-methoxyphenyl benzoate
Compound characteristics
| Compound ID: | D336-6979 |
| Compound Name: | 4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-bromo-6-methoxyphenyl benzoate |
| Molecular Weight: | 492.35 |
| Molecular Formula: | C20 H18 Br N3 O5 S |
| Smiles: | CC(NC1=NN(C(c2cc(c(c(c2)[Br])OC(c2ccccc2)=O)OC)S1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3455 |
| logD: | 3.2991 |
| logSw: | -3.8259 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.324 |
| InChI Key: | JKYQPTUAGVWGMN-SFHVURJKSA-N |