ethyl 3-[5-(2-cyano-3-{[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoate
Chemical Structure Depiction of
ethyl 3-[5-(2-cyano-3-{[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoate
ethyl 3-[5-(2-cyano-3-{[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoate
Compound characteristics
| Compound ID: | C356-1352 |
| Compound Name: | ethyl 3-[5-(2-cyano-3-{[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoate |
| Molecular Weight: | 514.58 |
| Molecular Formula: | C23 H22 N4 O6 S2 |
| Smiles: | CCOC(c1cccc(c1)c1ccc(/C=C(/C#N)C(Nc2nnc(s2)S(CC(C)C)(=O)=O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.24 |
| logD: | 2.87 |
| logSw: | -5.96 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 247.22 |
| InChI Key: | LMSYFKVSYJYQSV-UHFFFAOYSA-N |