2-chloro-4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl benzoate
Chemical Structure Depiction of
2-chloro-4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl benzoate
2-chloro-4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl benzoate
Compound characteristics
| Compound ID: | C355-1312 |
| Compound Name: | 2-chloro-4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl benzoate |
| Molecular Weight: | 547.01 |
| Molecular Formula: | C23 H19 Cl N4 O6 S2 |
| Smiles: | CC(C)S(c1nc(NC(C(=C/c2cc(c(c(c2)[Cl])OC(c2ccccc2)=O)OC)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.95 |
| logD: | 2.59 |
| logSw: | -6.05 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 230.32 |
| InChI Key: | MVPQUHHVGOPFAG-UHFFFAOYSA-N |