ethyl 4-[5-(2-cyano-3-{[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoate
Chemical Structure Depiction of
ethyl 4-[5-(2-cyano-3-{[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoate
ethyl 4-[5-(2-cyano-3-{[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoate
Compound characteristics
| Compound ID: | C355-0905 |
| Compound Name: | ethyl 4-[5-(2-cyano-3-{[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoate |
| Molecular Weight: | 514.58 |
| Molecular Formula: | C23 H22 N4 O6 S2 |
| Smiles: | CCOC(c1ccc(cc1)c1ccc(/C=C(/C#N)C(Nc2nc(ns2)S(CC(C)C)(=O)=O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.27 |
| logD: | 2.9 |
| logSw: | -6.01 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 236.43 |
| InChI Key: | DQSJQQUCBPTMSH-UHFFFAOYSA-N |