4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 3-methoxybenzoate
Chemical Structure Depiction of
4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 3-methoxybenzoate
4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 3-methoxybenzoate
Compound characteristics
| Compound ID: | C356-0753 |
| Compound Name: | 4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 3-methoxybenzoate |
| Molecular Weight: | 542.59 |
| Molecular Formula: | C24 H22 N4 O7 S2 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(CC)(=O)=O)=O)ccc1OC(c1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.77 |
| logD: | 1.42 |
| logSw: | -4.83 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 258.13 |
| InChI Key: | BWCKSNPSZDGVHF-UHFFFAOYSA-N |