3-(3-allyl-4-hydroxy-5-methoxyphenyl)-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-(3-allyl-4-hydroxy-5-methoxyphenyl)-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-(3-allyl-4-hydroxy-5-methoxyphenyl)-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-0542 |
| Compound Name: | 3-(3-allyl-4-hydroxy-5-methoxyphenyl)-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 388.47 |
| Molecular Formula: | C17 H16 N4 O3 S2 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)cc(CC=C)c1O |
| Stereo: | ACHIRAL |
| logP: | 3.99 |
| logD: | 3.32 |
| logSw: | -4.81 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 211.46 |
| InChI Key: | IJBUSGXONDKCNC-UHFFFAOYSA-N |