methyl 4-[5-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoate
Chemical Structure Depiction of
methyl 4-[5-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoate
methyl 4-[5-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoate
Compound characteristics
| Compound ID: | C356-0072 |
| Compound Name: | methyl 4-[5-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoate |
| Molecular Weight: | 458.47 |
| Molecular Formula: | C19 H14 N4 O6 S2 |
| Smiles: | COC(c1ccc(cc1)c1ccc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.25 |
| logD: | 0.88 |
| logSw: | -3.82 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 256.2 |
| InChI Key: | MJBAFVKTRAIJRM-UHFFFAOYSA-N |