4-(2-cyano-3-{[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 2-furoate
Chemical Structure Depiction of
4-(2-cyano-3-{[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 2-furoate
4-(2-cyano-3-{[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 2-furoate
Compound characteristics
| Compound ID: | C277-6735 |
| Compound Name: | 4-(2-cyano-3-{[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 2-furoate |
| Molecular Weight: | 484.55 |
| Molecular Formula: | C22 H20 N4 O5 S2 |
| Smiles: | CC(C)CSc1nc(NC(C(=C/c2ccc(c(c2)OC)OC(c2ccco2)=O)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 4.89 |
| logD: | 4.22 |
| logSw: | -5.77 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 227.2 |
| InChI Key: | UGLUOTNVSLYSOE-UHFFFAOYSA-N |