4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 4-methoxybenzoate
Chemical Structure Depiction of
4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 4-methoxybenzoate
4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 4-methoxybenzoate
Compound characteristics
| Compound ID: | C356-0312 |
| Compound Name: | 4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 4-methoxybenzoate |
| Molecular Weight: | 484.51 |
| Molecular Formula: | C21 H16 N4 O6 S2 |
| Smiles: | COc1ccc(cc1)C(=O)Oc1ccc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.05 |
| logD: | 0.7 |
| logSw: | -3.02 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 261.55 |
| InChI Key: | NCCKQEKRMHUNBK-UHFFFAOYSA-N |