4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 3,4-dimethoxybenzoate
Chemical Structure Depiction of
4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 3,4-dimethoxybenzoate
4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 3,4-dimethoxybenzoate
Compound characteristics
| Compound ID: | C356-0321 |
| Compound Name: | 4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 3,4-dimethoxybenzoate |
| Molecular Weight: | 514.53 |
| Molecular Formula: | C22 H18 N4 O7 S2 |
| Smiles: | COc1ccc(cc1OC)C(=O)Oc1ccc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.58 |
| logD: | 0.22 |
| logSw: | -3.56 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 274.8 |
| InChI Key: | UFTQWQNGFKTDSM-UHFFFAOYSA-N |