4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl benzoate
Chemical Structure Depiction of
4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl benzoate
4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl benzoate
Compound characteristics
| Compound ID: | C355-1283 |
| Compound Name: | 4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl benzoate |
| Molecular Weight: | 482.54 |
| Molecular Formula: | C22 H18 N4 O5 S2 |
| Smiles: | CC(C)S(c1nc(NC(C(=C/c2ccc(cc2)OC(c2ccccc2)=O)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.94 |
| logD: | 1.59 |
| logSw: | -5.01 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 229.77 |
| InChI Key: | GCJAVIUHBSLFQI-UHFFFAOYSA-N |