4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-bromo-6-methoxyphenyl furan-2-carboxylate
Chemical Structure Depiction of
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-bromo-6-methoxyphenyl furan-2-carboxylate
4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-bromo-6-methoxyphenyl furan-2-carboxylate
Compound characteristics
| Compound ID: | D336-6989 |
| Compound Name: | 4-(5-acetamido-3-acetyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-bromo-6-methoxyphenyl furan-2-carboxylate |
| Molecular Weight: | 482.31 |
| Molecular Formula: | C18 H16 Br N3 O6 S |
| Smiles: | CC(NC1=NN(C(c2cc(c(c(c2)[Br])OC(c2ccco2)=O)OC)S1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5736 |
| logD: | 2.5272 |
| logSw: | -3.0983 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.902 |
| InChI Key: | UBVSAPUVLMDDIT-INIZCTEOSA-N |