4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-fluorobenzoate
Chemical Structure Depiction of
4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-fluorobenzoate
4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-fluorobenzoate
Compound characteristics
| Compound ID: | C355-0319 |
| Compound Name: | 4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-fluorobenzoate |
| Molecular Weight: | 472.47 |
| Molecular Formula: | C20 H13 F N4 O5 S2 |
| Smiles: | CS(c1nc(NC(C(=C/c2ccc(cc2)OC(c2ccccc2F)=O)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1 |
| logD: | 0.75 |
| logSw: | -4.1 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 234.82 |
| InChI Key: | KNEQNIXVGHTEJK-UHFFFAOYSA-N |