4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 4-(tert-butyl)benzoate
Chemical Structure Depiction of
4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 4-(tert-butyl)benzoate
4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 4-(tert-butyl)benzoate
Compound characteristics
| Compound ID: | C356-0325 |
| Compound Name: | 4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 4-(tert-butyl)benzoate |
| Molecular Weight: | 540.62 |
| Molecular Formula: | C25 H24 N4 O6 S2 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(=O)Oc1ccc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.83 |
| logD: | 2.48 |
| logSw: | -5.85 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 255.12 |
| InChI Key: | QZVIINHTZSRMQS-UHFFFAOYSA-N |