2-chloro-4-(2-cyano-3-{[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-furoate
Chemical Structure Depiction of
2-chloro-4-(2-cyano-3-{[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-furoate
2-chloro-4-(2-cyano-3-{[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-furoate
Compound characteristics
| Compound ID: | C355-1045 |
| Compound Name: | 2-chloro-4-(2-cyano-3-{[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-furoate |
| Molecular Weight: | 520.97 |
| Molecular Formula: | C21 H17 Cl N4 O6 S2 |
| Smiles: | CC(C)CS(c1nc(NC(C(=C/c2ccc(c(c2)[Cl])OC(c2ccco2)=O)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.25 |
| logD: | 1.9 |
| logSw: | -5.01 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 231.96 |
| InChI Key: | MDBSLEQSCXMJGA-UHFFFAOYSA-N |