4-(2-cyano-3-{[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 2-furoate
Chemical Structure Depiction of
4-(2-cyano-3-{[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 2-furoate
4-(2-cyano-3-{[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 2-furoate
Compound characteristics
| Compound ID: | C355-1039 |
| Compound Name: | 4-(2-cyano-3-{[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 2-furoate |
| Molecular Weight: | 530.58 |
| Molecular Formula: | C23 H22 N4 O7 S2 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nc(ns2)S(CC(C)C)(=O)=O)=O)ccc1OC(c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.81 |
| logD: | 1.46 |
| logSw: | -4.7 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 244.86 |
| InChI Key: | YKHPZJGJKGDGAQ-UHFFFAOYSA-N |