4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 2-chlorobenzoate
Chemical Structure Depiction of
4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 2-chlorobenzoate
4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 2-chlorobenzoate
Compound characteristics
| Compound ID: | C355-1303 |
| Compound Name: | 4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 2-chlorobenzoate |
| Molecular Weight: | 547.01 |
| Molecular Formula: | C23 H19 Cl N4 O6 S2 |
| Smiles: | CC(C)S(c1nc(NC(C(=C/c2ccc(c(c2)OC)OC(c2ccccc2[Cl])=O)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.74 |
| logD: | 2.39 |
| logSw: | -5.63 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 235.5 |
| InChI Key: | PZGBOJFQBAGKMW-UHFFFAOYSA-N |