2-[4-(2-cyano-3-{[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenoxy]acetic acid
Chemical Structure Depiction of
2-[4-(2-cyano-3-{[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenoxy]acetic acid
2-[4-(2-cyano-3-{[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenoxy]acetic acid
Compound characteristics
| Compound ID: | C355-0993 |
| Compound Name: | 2-[4-(2-cyano-3-{[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenoxy]acetic acid |
| Molecular Weight: | 450.49 |
| Molecular Formula: | C18 H18 N4 O6 S2 |
| Smiles: | CC(C)CS(c1nc(NC(C(=C/c2ccc(cc2)OCC(O)=O)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.77 |
| logD: | -1.47 |
| logSw: | -3.88 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 274.92 |
| InChI Key: | MAXDMHFKHDNKHY-UHFFFAOYSA-N |