2-chloro-4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 2-furoate
Chemical Structure Depiction of
2-chloro-4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 2-furoate
2-chloro-4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 2-furoate
Compound characteristics
| Compound ID: | C356-0776 |
| Compound Name: | 2-chloro-4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 2-furoate |
| Molecular Weight: | 492.91 |
| Molecular Formula: | C19 H13 Cl N4 O6 S2 |
| Smiles: | CCS(c1nnc(NC(C(=C/c2ccc(c(c2)[Cl])OC(c2ccco2)=O)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.39 |
| logD: | 1.04 |
| logSw: | -4.05 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 236.76 |
| InChI Key: | VSXUQNZKWUOOPM-UHFFFAOYSA-N |