4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 2-chlorobenzoate
Chemical Structure Depiction of
4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 2-chlorobenzoate
4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 2-chlorobenzoate
Compound characteristics
| Compound ID: | C356-0318 |
| Compound Name: | 4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 2-chlorobenzoate |
| Molecular Weight: | 488.93 |
| Molecular Formula: | C20 H13 Cl N4 O5 S2 |
| Smiles: | CS(c1nnc(NC(C(=C/c2ccc(cc2)OC(c2ccccc2[Cl])=O)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.81 |
| logD: | 1.45 |
| logSw: | -4.6 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 243.44 |
| InChI Key: | ZOKSGWRTEBFFIN-UHFFFAOYSA-N |