2-chloro-4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-6-ethoxyphenyl 3-methylbenzoate
Chemical Structure Depiction of
2-chloro-4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-6-ethoxyphenyl 3-methylbenzoate
2-chloro-4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-6-ethoxyphenyl 3-methylbenzoate
Compound characteristics
| Compound ID: | C356-0355 |
| Compound Name: | 2-chloro-4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-6-ethoxyphenyl 3-methylbenzoate |
| Molecular Weight: | 547.01 |
| Molecular Formula: | C23 H19 Cl N4 O6 S2 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)cc(c1OC(c1cccc(C)c1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.6 |
| logD: | 2.25 |
| logSw: | -5.41 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 241.54 |
| InChI Key: | OTNGXNCMTMZWLZ-UHFFFAOYSA-N |