4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 3-methylbenzoate
Chemical Structure Depiction of
4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 3-methylbenzoate
4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 3-methylbenzoate
Compound characteristics
| Compound ID: | C355-0308 |
| Compound Name: | 4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 3-methylbenzoate |
| Molecular Weight: | 468.51 |
| Molecular Formula: | C21 H16 N4 O5 S2 |
| Smiles: | Cc1cccc(c1)C(=O)Oc1ccc(/C=C(/C#N)C(Nc2nc(ns2)S(C)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2 |
| logD: | 0.84 |
| logSw: | -3.62 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 235.09 |
| InChI Key: | GDWJOMUSCXDJAB-UHFFFAOYSA-N |