4-(2-cyano-3-{[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 3-methoxybenzoate
Chemical Structure Depiction of
4-(2-cyano-3-{[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 3-methoxybenzoate
4-(2-cyano-3-{[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 3-methoxybenzoate
Compound characteristics
| Compound ID: | C146-1696 |
| Compound Name: | 4-(2-cyano-3-{[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 3-methoxybenzoate |
| Molecular Weight: | 466.54 |
| Molecular Formula: | C22 H18 N4 O4 S2 |
| Smiles: | CCSc1nc(NC(C(=C/c2ccc(cc2)OC(c2cccc(c2)OC)=O)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 4.96 |
| logD: | 4.28 |
| logSw: | -6.3 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 223.85 |
| InChI Key: | DUINKJNTIOWIJG-UHFFFAOYSA-N |