2-chloro-4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl benzoate
Chemical Structure Depiction of
2-chloro-4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl benzoate
2-chloro-4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl benzoate
Compound characteristics
| Compound ID: | C356-0761 |
| Compound Name: | 2-chloro-4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl benzoate |
| Molecular Weight: | 532.98 |
| Molecular Formula: | C22 H17 Cl N4 O6 S2 |
| Smiles: | CCS(c1nnc(NC(C(=C/c2cc(c(c(c2)[Cl])OC(c2ccccc2)=O)OC)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.62 |
| logD: | 2.27 |
| logSw: | -5.49 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 236.84 |
| InChI Key: | MICPSTFUZACSOD-UHFFFAOYSA-N |