4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl benzoate
Chemical Structure Depiction of
4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl benzoate
4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl benzoate
Compound characteristics
| Compound ID: | C356-0741 |
| Compound Name: | 4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl benzoate |
| Molecular Weight: | 498.53 |
| Molecular Formula: | C22 H18 N4 O6 S2 |
| Smiles: | CCS(c1nnc(NC(C(=C/c2ccc(c(c2)OC)OC(c2ccccc2)=O)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.58 |
| logD: | 1.23 |
| logSw: | -4.11 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 245.3 |
| InChI Key: | WGKDNSCGVXYHHP-UHFFFAOYSA-N |