2-chloro-4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 4-fluorobenzoate
Chemical Structure Depiction of
2-chloro-4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 4-fluorobenzoate
2-chloro-4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 4-fluorobenzoate
Compound characteristics
| Compound ID: | C356-0365 |
| Compound Name: | 2-chloro-4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 4-fluorobenzoate |
| Molecular Weight: | 506.92 |
| Molecular Formula: | C20 H12 Cl F N4 O5 S2 |
| Smiles: | CS(c1nnc(NC(C(=C/c2ccc(c(c2)[Cl])OC(c2ccc(cc2)F)=O)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.65 |
| logD: | 1.3 |
| logSw: | -4.32 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 236.27 |
| InChI Key: | PEJDZEBQPVBWBC-UHFFFAOYSA-N |