4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 4-chlorobenzoate
Chemical Structure Depiction of
4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 4-chlorobenzoate
4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 4-chlorobenzoate
Compound characteristics
| Compound ID: | C356-0756 |
| Compound Name: | 4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 4-chlorobenzoate |
| Molecular Weight: | 547.01 |
| Molecular Formula: | C23 H19 Cl N4 O6 S2 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(CC)(=O)=O)=O)ccc1OC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.42 |
| logD: | 2.07 |
| logSw: | -5.28 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 237.25 |
| InChI Key: | VXAKHRHVOBVXTM-UHFFFAOYSA-N |