2-cyano-3-(4-isopropoxy-3-methoxyphenyl)-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(4-isopropoxy-3-methoxyphenyl)-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-(4-isopropoxy-3-methoxyphenyl)-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-0535 |
| Compound Name: | 2-cyano-3-(4-isopropoxy-3-methoxyphenyl)-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 390.48 |
| Molecular Formula: | C17 H18 N4 O3 S2 |
| Smiles: | CC(C)Oc1ccc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.83 |
| logD: | 3.16 |
| logSw: | -4.85 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 188.34 |
| InChI Key: | RXESYXGBYYDUKA-UHFFFAOYSA-N |