2-[4-(2-cyano-3-{[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenoxy]acetic acid
Chemical Structure Depiction of
2-[4-(2-cyano-3-{[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenoxy]acetic acid
2-[4-(2-cyano-3-{[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenoxy]acetic acid
Compound characteristics
| Compound ID: | C146-5617 |
| Compound Name: | 2-[4-(2-cyano-3-{[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenoxy]acetic acid |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C19 H20 N4 O5 S2 |
| Smiles: | CC(C)CSc1nc(NC(C(=C/c2ccc(c(c2)OC)OCC(O)=O)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 3.73 |
| logD: | -0.51 |
| logSw: | -4.92 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 260.68 |
| InChI Key: | WZQNTIYLFKANRO-UHFFFAOYSA-N |