4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-fluorobenzoate
Chemical Structure Depiction of
4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-fluorobenzoate
4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-fluorobenzoate
Compound characteristics
| Compound ID: | C146-0686 |
| Compound Name: | 4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-fluorobenzoate |
| Molecular Weight: | 440.47 |
| Molecular Formula: | C20 H13 F N4 O3 S2 |
| Smiles: | CSc1nc(NC(C(=C/c2ccc(cc2)OC(c2ccccc2F)=O)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 4.77 |
| logD: | 4.09 |
| logSw: | -5.96 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 204.19 |
| InChI Key: | ANNQACQTYFRBEC-UHFFFAOYSA-N |