4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 3-methoxybenzoate
Chemical Structure Depiction of
4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 3-methoxybenzoate
4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 3-methoxybenzoate
Compound characteristics
| Compound ID: | C277-4712 |
| Compound Name: | 4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 3-methoxybenzoate |
| Molecular Weight: | 482.54 |
| Molecular Formula: | C22 H18 N4 O5 S2 |
| Smiles: | COc1cccc(c1)C(=O)Oc1ccc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.52 |
| logD: | 3.84 |
| logSw: | -5.37 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 236.2 |
| InChI Key: | ADPRPKVDOYPUGN-UHFFFAOYSA-N |