4-(2-cyano-3-{[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 2-thiophenecarboxylate
Chemical Structure Depiction of
4-(2-cyano-3-{[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 2-thiophenecarboxylate
4-(2-cyano-3-{[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 2-thiophenecarboxylate
Compound characteristics
| Compound ID: | C356-1329 |
| Compound Name: | 4-(2-cyano-3-{[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 2-thiophenecarboxylate |
| Molecular Weight: | 546.64 |
| Molecular Formula: | C23 H22 N4 O6 S3 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(CC(C)C)(=O)=O)=O)ccc1OC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.77 |
| logD: | 2.41 |
| logSw: | -5.34 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 241.42 |
| InChI Key: | LOPHBHXXASCUDZ-UHFFFAOYSA-N |