4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2,4-dichlorobenzoate
Chemical Structure Depiction of
4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2,4-dichlorobenzoate
4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2,4-dichlorobenzoate
Compound characteristics
| Compound ID: | C355-0315 |
| Compound Name: | 4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2,4-dichlorobenzoate |
| Molecular Weight: | 523.37 |
| Molecular Formula: | C20 H12 Cl2 N4 O5 S2 |
| Smiles: | CS(c1nc(NC(C(=C/c2ccc(cc2)OC(c2ccc(cc2[Cl])[Cl])=O)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4 |
| logD: | 2.05 |
| logSw: | -5.5 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 232.83 |
| InChI Key: | KJQQGKRDDIOKNW-UHFFFAOYSA-N |