2-bromo-4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-furoate
Chemical Structure Depiction of
2-bromo-4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-furoate
2-bromo-4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-furoate
Compound characteristics
| Compound ID: | C355-0377 |
| Compound Name: | 2-bromo-4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-furoate |
| Molecular Weight: | 523.34 |
| Molecular Formula: | C18 H11 Br N4 O6 S2 |
| Smiles: | CS(c1nc(NC(C(=C/c2ccc(c(c2)[Br])OC(c2ccco2)=O)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.52 |
| logD: | 0.17 |
| logSw: | -3.9 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 240.75 |
| InChI Key: | XMZIDGUSMYUXDS-UHFFFAOYSA-N |