2-[4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenoxy]acetic acid
Chemical Structure Depiction of
2-[4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenoxy]acetic acid
2-[4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenoxy]acetic acid
Compound characteristics
| Compound ID: | C355-1244 |
| Compound Name: | 2-[4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenoxy]acetic acid |
| Molecular Weight: | 436.46 |
| Molecular Formula: | C17 H16 N4 O6 S2 |
| Smiles: | CC(C)S(c1nc(NC(C(=C/c2ccc(cc2)OCC(O)=O)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.24 |
| logD: | -2 |
| logSw: | -3.96 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 273.2 |
| InChI Key: | UUXVTDNOQBLKFW-UHFFFAOYSA-N |