4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 4-chlorobenzoate
Chemical Structure Depiction of
4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 4-chlorobenzoate
4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 4-chlorobenzoate
Compound characteristics
| Compound ID: | C356-0733 |
| Compound Name: | 4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 4-chlorobenzoate |
| Molecular Weight: | 502.95 |
| Molecular Formula: | C21 H15 Cl N4 O5 S2 |
| Smiles: | CCS(c1nnc(NC(C(=C/c2ccc(cc2)OC(c2ccc(cc2)[Cl])=O)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.32 |
| logD: | 1.96 |
| logSw: | -5.72 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 236.01 |
| InChI Key: | ZJXCFGRYNXPHDW-UHFFFAOYSA-N |