2-chloro-4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 4-chlorobenzoate
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-chlorobenzoate
2-chloro-4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 4-chlorobenzoate
Compound characteristics
| Compound ID: | C356-0366 |
| Compound Name: | 2-chloro-4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 4-chlorobenzoate |
| Molecular Weight: | 523.37 |
| Molecular Formula: | C20 H12 Cl2 N4 O5 S2 |
| Smiles: | CS(c1nnc(NC(C(=C/c2ccc(c(c2)[Cl])OC(c2ccc(cc2)[Cl])=O)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.22 |
| logD: | 1.86 |
| logSw: | -5.15 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 234.79 |
| InChI Key: | HWBLDJKANOKFHS-UHFFFAOYSA-N |