2-chloro-4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 2-fluorobenzoate
Chemical Structure Depiction of
2-chloro-4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 2-fluorobenzoate
2-chloro-4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 2-fluorobenzoate
Compound characteristics
| Compound ID: | C355-0353 |
| Compound Name: | 2-chloro-4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 2-fluorobenzoate |
| Molecular Weight: | 536.94 |
| Molecular Formula: | C21 H14 Cl F N4 O6 S2 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nc(ns2)S(C)(=O)=O)=O)cc(c1OC(c1ccccc1F)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.1 |
| logD: | 1.75 |
| logSw: | -5.13 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 235.37 |
| InChI Key: | BTUODLLTJABKOZ-UHFFFAOYSA-N |