2-[4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenoxy]acetic acid
Chemical Structure Depiction of
2-[4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenoxy]acetic acid
2-[4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenoxy]acetic acid
Compound characteristics
| Compound ID: | C146-0525 |
| Compound Name: | 2-[4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenoxy]acetic acid |
| Molecular Weight: | 376.41 |
| Molecular Formula: | C15 H12 N4 O4 S2 |
| Smiles: | CSc1nc(NC(C(=C/c2ccc(cc2)OCC(O)=O)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 2.8 |
| logD: | -1.43 |
| logSw: | -3.86 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 250.02 |
| InChI Key: | NEDVMTBBACZRRO-UHFFFAOYSA-N |