4-(2-cyano-3-{[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2,6-dimethoxyphenyl acetate
Chemical Structure Depiction of
4-(2-cyano-3-{[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2,6-dimethoxyphenyl acetate
4-(2-cyano-3-{[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2,6-dimethoxyphenyl acetate
Compound characteristics
| Compound ID: | C146-5763 |
| Compound Name: | 4-(2-cyano-3-{[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2,6-dimethoxyphenyl acetate |
| Molecular Weight: | 462.55 |
| Molecular Formula: | C20 H22 N4 O5 S2 |
| Smiles: | CC(C)CSc1nc(NC(C(=C/c2cc(c(c(c2)OC)OC(C)=O)OC)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 4.16 |
| logD: | 3.49 |
| logSw: | -4.9 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 227.56 |
| InChI Key: | CYZXEXPGBHZSSI-UHFFFAOYSA-N |