4-(2-cyano-3-{[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl benzoate
Chemical Structure Depiction of
4-(2-cyano-3-{[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl benzoate
4-(2-cyano-3-{[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl benzoate
Compound characteristics
| Compound ID: | C355-0741 |
| Compound Name: | 4-(2-cyano-3-{[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl benzoate |
| Molecular Weight: | 498.53 |
| Molecular Formula: | C22 H18 N4 O6 S2 |
| Smiles: | CCS(c1nc(NC(C(=C/c2ccc(c(c2)OC)OC(c2ccccc2)=O)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.45 |
| logD: | 1.1 |
| logSw: | -3.61 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 235.79 |
| InChI Key: | QRDYXLHMSPETKD-UHFFFAOYSA-N |